SCHEMBL84836

SCHEMBL84836

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GRM5 P41594 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
EGFR P00533 2/20 0.39
MAPK14 Q16539 2/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
RET P07949 2/20 0.35
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAF1 P04049 1/20 0.33

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
SCHEMBL15469304 0.83 ALDH1A1 (0.40) MEN1KMT2AGRM5ALDH1A1LMNA
SCHEMBL3765590 0.83 MEN1 (0.42) MEN1KMT2AALDH1A1LMNAEGFR
SCHEMBL26151606 0.83 MEN1 (0.42) MEN1KMT2AALDH1A1LMNAEGFR
SCHEMBL25796460 0.83 MEN1 (0.42) MEN1KMT2AALDH1A1LMNAEGFR
SCHEMBL3760684 0.83 KMT2A (0.46) MEN1KMT2AALDH1A1LMNAEGFR
SCHEMBL24132390 0.83 MEN1 (0.42) MEN1KMT2AALDH1A1LMNAEGFR
SCHEMBL26152889 0.81 MEN1 (0.43) MEN1KMT2AALDH1A1LMNAEGFR
SCHEMBL24029388 0.81 GRM5 (0.39) GRM5ALDH1A1LMNAMAPK14SMN1; SMN2
SCHEMBL23966715 0.80 MEN1 (0.40) MEN1KMT2AALDH1A1LMNAEGFR
SCHEMBL12602869 0.80 GRM5 (0.36) GRM5ALDH1A1LMNASMN1; SMN2TSHR

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 110 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
WO-2023217851-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-κB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
US-20230330249-A1 ANTIBODY-CONJUGATED CHEMICAL INDUCERS OF DEGRADATION OF BRM AND METHODS THEREOF GENENTECH, INC. (US) 2023-10-19 US disclosed
EP-4248975-A2 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME Rigel Pharmaceuticals, Inc. (US) 2023-09-27 EP disclosed
US-11713321-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2023-08-01 US disclosed
US-11713321-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2023-08-01 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 US disclosed
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 US disclosed
US-20100063041-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2010-03-11 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 US disclosed
US-20080182837-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
WO-2008003770-A1 PHENYL SUBSTITUTED HETEROARYL-DERIVATIVES AND USE THEREOF AS ANTI-TUMOR AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-10 WO disclosed
US-20070232648-A1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 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-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-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 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 (11 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-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R MEN1 991/4885KMT2A 193/4885GRM5 126/4885
US-20230203045-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 MEN1 1800/4885KMT2A 2881/4885GRM5 3408/4885
US-11713321-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 MEN1 1766/4885KMT2A 2554/4885GRM5 3195/4885
US-20090023740-A1 SODIUM CHANNEL INHIBITORS TRPV1, SCN1A, SCN2A MEN1 4426/4885KMT2A 1945/4885GRM5 284/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 MEN1 3098/4885KMT2A 4530/4885GRM5 4105/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP MEN1 4363/4885KMT2A 3434/4885GRM5 1372/4885
US-20070232648-A1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD NR3C1, NR3C2, MC2R MEN1 3570/4885KMT2A 4084/4885GRM5 177/4885
US-20100063041-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME PPARA, PPARG, PPARD MEN1 4867/4885KMT2A 2485/4885GRM5 396/4885
US-20230330249-A1 ANTIBODY-CONJUGATED CHEMICAL INDUCERS OF DEGRADATION OF BRM AND METHODS THEREOF ADRM1, CD79B, BRDT MEN1 4258/4885KMT2A 2759/4885GRM5 1067/4885
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 2024/4885GRM5 589/4885
US-20080182837-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 MEN1 373/4885KMT2A 2240/4885GRM5 4130/4885

“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.