SCHEMBL85820

SCHEMBL85820

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 13/20 0.41
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL11405351 0.88 GRM5 (0.44) GRM5ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL3767575 0.85 SMN1; SMN2 (0.41) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL22819130 0.83 GRM5 (0.41) GRM5ALDH1A1LMNASMN1; SMN2CHRNA1
SCHEMBL22215300 0.83 SMN1; SMN2 (0.36) GRM5ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL12385727 0.83 SMN1; SMN2 (0.36) GRM5ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL23758319 0.83 SMN1; SMN2 (0.38) GRM5ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL24040264 0.83 GRM5 (0.41) GRM5ALDH1A1LMNASMN1; SMN2CHRNA1
SCHEMBL22662499 0.83 GRM5 (0.41) GRM5ALDH1A1LMNASMN1; SMN2POLB
SCHEMBL26901981 0.83 SMN1; SMN2 (0.38) GRM5ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL3760655 0.83 SMN1; SMN2 (0.40) ALDH1A1LMNASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-20240217947-A1 Morpholinylquinazoline Compound, Pharmaceutical compositions thereof and Use Thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2024-07-04 US disclosed
US-20240067642-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2024-02-29 US disclosed
US-20240067642-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2024-02-29 US disclosed
US-20240016942-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-18 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20230382889-A1 COMPOUNDS FOR INHIBITING KIF18A VOLASTRA THERAPEUTICS, INC. (US) 2023-11-30 US disclosed
US-20230382889-A1 COMPOUNDS FOR INHIBITING KIF18A VOLASTRA THERAPEUTICS, INC. (US) 2023-11-30 US disclosed
WO-2023212240-A1 COMPOUNDS FOR INHIBITING KIF18A VOLASTRA THERAPEUTICS, INC. (US) 2023-11-02 WO disclosed
US-20070244119-A1 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2007-10-18 US disclosed
US-20070244119-A1 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2007-10-18 US disclosed
US-20070238694-A1 Purine compounds and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-10-11 US disclosed
US-7279485-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-09 US disclosed
US-20070189865-A1 Amino cyclopropane carboxamide derivatives as bradykinin antagonists MERCK & CO., INC. 2007-08-16 US disclosed
US-20070189865-A1 Amino cyclopropane carboxamide derivatives as bradykinin antagonists MERCK & CO., INC. 2007-08-16 US disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 US disclosed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 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-20230382889-A1 COMPOUNDS FOR INHIBITING KIF18A KIF18A, KIF18B, KIF2C GRM5 2956/4885ALDH1A1 2900/4885LMNA 2775/4885
US-20070185092-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 GRM5 3394/4885ALDH1A1 1402/4885LMNA 951/4885
US-20240217947-A1 Morpholinylquinazoline Compound, Pharmaceutical compositions thereof and Use Thereof HDAC6, HDAC9, HDAC7 GRM5 2803/4885ALDH1A1 2487/4885LMNA 1956/4885
US-20070238694-A1 Purine compounds and methods of use thereof PNP, ADORA2A, P2RY1 GRM5 2514/4885ALDH1A1 669/4885LMNA 1158/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 GRM5 1220/4885ALDH1A1 289/4885LMNA 3518/4885
US-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 GRM5 68/4885ALDH1A1 656/4885LMNA 1966/4885
US-20070244119-A1 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, PSEN1 GRM5 1246/4885ALDH1A1 989/4885LMNA 1048/4885
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS GRM5 3357/4885ALDH1A1 2777/4885LMNA 627/4885
US-20240016942-A1 STAT DEGRADERS AND USES THEREOF STAT4, STAT1, STAT3 GRM5 3661/4885ALDH1A1 2465/4885LMNA 4438/4885
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications HDAC1, HDAC11, HDAC2 GRM5 2883/4885ALDH1A1 447/4885LMNA 672/4885
US-20240067642-A1 COMPOUNDS AND USES THEREOF VHL, TFEB, BECN1 GRM5 4246/4885ALDH1A1 1358/4885LMNA 172/4885

“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.