SCHEMBL77689

SCHEMBL77689

COc1ncccc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.46
NFE2L2 Q16236 3/20 0.44
APLNR P35414 1/20 0.44
SQOR Q9Y6N5 1/20 0.43
P2RY1 P47900 12/20 0.40
BTK Q06187 1/20 0.40
PLCG1 P19174 1/20 0.38
P2RY14 Q15391 1/20 0.38

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
SCHEMBL11972428 0.84 APLNR (0.46) SLC22A12NFE2L2APLNRSQORP2RY1
SCHEMBL30440802 0.82 SLC22A12 (0.55) SLC22A12NFE2L2APLNR
SCHEMBL322870 0.82 SLC22A12 (0.55) SLC22A12NFE2L2APLNR
SCHEMBL18869514 0.81 SLC22A12 (0.42) SLC22A12NFE2L2APLNRSQORP2RY1
SCHEMBL21970992 0.81 SLC22A12 (0.42) SLC22A12NFE2L2APLNRSQORP2RY1
SCHEMBL25407823 0.80 SLC22A12 (0.47) SLC22A12NFE2L2APLNRBTK
SCHEMBL12922790 0.80 MEN1 (0.42) P2RY1
SCHEMBL25024226 0.80 NFE2L2 (0.46) SLC22A12NFE2L2APLNRP2RY1BTK
SCHEMBL25023921 0.80 PLCG1 (0.43) SLC22A12NFE2L2APLNRSQORP2RY1
SCHEMBL30581481 0.80 SLC22A12 (0.44) SLC22A12NFE2L2APLNRSQORBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS FULCRUM THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS FULCRUM THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof ANTENGENT THERAPEUTICS LIMITED (CN) 2024-01-02 US disclosed
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof ANTENGENT THERAPEUTICS LIMITED (CN) 2024-01-02 US disclosed
US-20230399320-A1 NOVEL CAPSID ASSEMBLY INHIBITOR Pelemed Co., Ltd. (UA) 2023-12-14 US disclosed
US-20230399320-A1 NOVEL CAPSID ASSEMBLY INHIBITOR Pelemed Co., Ltd. (UA) 2023-12-14 US disclosed
EP-3956320-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-11-29 EP disclosed
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-11-09 US disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20080004282-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 US disclosed
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto NEUROCRINE BIOSCIENCES, INC. 2007-12-13 US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 US disclosed
US-20070225365-A1 Cetp Inhibitors MERCK & CO., INC. (US) 2007-09-27 US disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 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 (15 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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ERBB2, ERBB3, ERBB4 SLC22A12 4388/4885NFE2L2 3308/4885APLNR 1909/4885
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF ATG7, GOT1, LIPC SLC22A12 4376/4885NFE2L2 996/4885APLNR 3613/4885
US-20070225365-A1 Cetp Inhibitors CETP, APOB, NPC1 SLC22A12 1871/4885NFE2L2 1496/4885APLNR 4243/4885
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 SLC22A12 2097/4885NFE2L2 2301/4885APLNR 859/4885
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto CRHR1, CRHR2, CRH SLC22A12 991/4885NFE2L2 3071/4885APLNR 639/4885
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS BCLAF1, EED, BCL3 SLC22A12 2005/4885NFE2L2 365/4885APLNR 2852/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 SLC22A12 99/4885NFE2L2 1010/4885APLNR 1740/4885
US-20080004282-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 SLC22A12 2765/4885NFE2L2 3988/4885APLNR 870/4885
US-20070197628-A1 Cannabinoid receptor modulators CNR1, CNR2, GPR18 SLC22A12 1868/4885NFE2L2 3604/4885APLNR 886/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 SLC22A12 3593/4885NFE2L2 1141/4885APLNR 356/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 SLC22A12 890/4885NFE2L2 2376/4885APLNR 778/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 SLC22A12 693/4885NFE2L2 2936/4885APLNR 2930/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 SLC22A12 98/4885NFE2L2 1208/4885APLNR 1000/4885
US-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 SLC22A12 4055/4885NFE2L2 1963/4885APLNR 2406/4885
US-20230399320-A1 NOVEL CAPSID ASSEMBLY INHIBITOR ZC3HAV1, COPB1, CNBP SLC22A12 4458/4885NFE2L2 4170/4885APLNR 3552/4885

“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.