SCHEMBL84872

SCHEMBL84872

CC(C)(C)c1cc(C(C)(C)C)on1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.43
EGFR P00533 3/20 0.42
GAA P10253 1/20 0.40
NPC1 O15118 5/20 0.39
RAB9A P51151 4/20 0.39
MAPK14 Q16539 3/20 0.38
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13534490 0.86 ALDH1A1 (0.41) MEN1KMT2AALDH1A1EGFRGAA
SCHEMBL18471564 0.84 MEN1 (0.44) MEN1KMT2AALDH1A1EGFRGAA
SCHEMBL22968430 0.84 ALDH1A1 (0.40) MEN1KMT2AALDH1A1EGFRGAA
SCHEMBL15491856 0.84 ALDH1A1 (0.40) MEN1KMT2AALDH1A1EGFRGAA
SCHEMBL23966689 0.84 MEN1 (0.44) MEN1KMT2AALDH1A1EGFRGAA
SCHEMBL23966691 0.84 ALDH1A1 (0.43) MEN1KMT2AALDH1A1EGFRGAA
SCHEMBL15684071 0.84 ALDH1A1 (0.40) MEN1KMT2AALDH1A1EGFRGAA
SCHEMBL12602866 0.84 MAPK14 (0.41) MEN1KMT2AALDH1A1EGFRGAA
SCHEMBL9891488 0.84 MEN1 (0.44) MEN1KMT2AALDH1A1EGFRNPC1
SCHEMBL13230275 0.84 MEN1 (0.44) MEN1KMT2AALDH1A1EGFRGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 266 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043629-B2 RIP1K inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2024-07-23 US disclosed
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240217958-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. 2024-07-04 US disclosed
US-20240217958-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. 2024-07-04 US disclosed
US-12024528-B2 Bridged tricyclic carbamoylpyridone compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-02 US disclosed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US disclosed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US disclosed
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-29 US disclosed
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-20080125436-A1 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting ASTRAZENECA AB (SE) 2008-05-29 US disclosed
US-20080051441-A1 Aryl Sulphonamide Modulators ASTRAZENECA AB (SE) 2008-02-28 US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259895-A1 MGluR5 modulators VI ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259916-A1 mGluR5 modulators II ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259923-A1 MGluR5 modulators IV ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION 2007-10-04 US disclosed
US-20070191376-A1 Bicyclic heteroaryl compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2007-08-16 US disclosed
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2007-02-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (17 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 MEN1 524/4885KMT2A 4004/4885ALDH1A1 4266/4885
US-20070259862-A1 MGluR5 modulators I GRM5, GRM1, GRIK5 MEN1 4030/4885KMT2A 2904/4885ALDH1A1 4350/4885
US-20080125436-A1 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting GLRA1, GRM1, GRM5 MEN1 3361/4885KMT2A 1103/4885ALDH1A1 500/4885
US-20070259916-A1 mGluR5 modulators II GRM5, GRM2, GRIK5 MEN1 4242/4885KMT2A 2414/4885ALDH1A1 4552/4885
US-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 MEN1 244/4885KMT2A 2113/4885ALDH1A1 636/4885
US-20240217958-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIPK1, RIPK2, RIPK3 MEN1 2749/4885KMT2A 3641/4885ALDH1A1 4521/4885
US-12043629-B2 RIP1K inhibitors RIPK1, RIPK2, RIPK3 MEN1 2334/4885KMT2A 3677/4885ALDH1A1 4610/4885
US-20070259923-A1 MGluR5 modulators IV GRM5, GRM4, GRIK5 MEN1 4353/4885KMT2A 2753/4885ALDH1A1 4471/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP MEN1 4363/4885KMT2A 3434/4885ALDH1A1 4157/4885
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS DDB1, DCLRE1A, MDM2 MEN1 3254/4885KMT2A 1342/4885ALDH1A1 1427/4885
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP MEN1 3013/4885KMT2A 2671/4885ALDH1A1 472/4885
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors GRK2, GRK3, BLK MEN1 4104/4885KMT2A 2024/4885ALDH1A1 3405/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC MEN1 1380/4885KMT2A 622/4885ALDH1A1 3764/4885
US-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 MEN1 4264/4885KMT2A 2629/4885ALDH1A1 4603/4885
US-20070259895-A1 MGluR5 modulators VI GRM5, GRIK5, GRM6 MEN1 4312/4885KMT2A 2835/4885ALDH1A1 4599/4885
US-12024528-B2 Bridged tricyclic carbamoylpyridone compounds and uses thereof SDHA, SDHB, DPYD MEN1 3100/4885KMT2A 3060/4885ALDH1A1 684/4885
US-20080051441-A1 Aryl Sulphonamide Modulators CHRM2, CHRM1, CHRNA1 MEN1 3032/4885KMT2A 1929/4885ALDH1A1 537/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.