SCHEMBL1106084

SCHEMBL1106084

CC(C)(C)c1cc[nH]c1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALOX15 P16050 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
ATP2A2 P16615 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATP2A3 Q93084 1/20 0.31
NR1I2 O75469 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30
MIF P14174 1/20 0.30
TYR P14679 1/20 0.30
HTT P42858 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL12792919 0.74 TSHR (0.31) TSHR
SCHEMBL13551493 0.74 CA2 (0.33) CA2ALDH1A1TSHRTDP1ALOX15
SCHEMBL12826811 0.73 CA2 (0.30) CA2
SCHEMBL21719186 0.72 AHR (0.32)
SCHEMBL21719191 0.72
SCHEMBL24373233 0.72 MEN1 (0.31) ALDH1A1MAPT
SCHEMBL21719393 0.72 GPR84 (0.33)
SCHEMBL21719622 0.72 CA2 (0.32) CA2ALDH1A1TSHRTDP1
SCHEMBL21737053 0.72 CA2 (0.32) CA2ALDH1A1TSHRTDP1
SCHEMBL21719433 0.72 CA2 (0.32) CA2ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240228487-A1 FUSED HETEROCYCLIC COMPOUND AND APPLICATION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND APPLICATION THEREOF ZHEJIANG UNIVERSITY (CN) 2024-07-11 US disclosed
US-20240228487-A1 FUSED HETEROCYCLIC COMPOUND AND APPLICATION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND APPLICATION THEREOF ZHEJIANG UNIVERSITY (CN) 2024-07-11 US disclosed
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-29 US disclosed
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-01-25 US disclosed
WO-2023210741-A1 BENZOTRIAZOLE COMPOUND 第一三共株式会社 2023-11-02 WO disclosed
US-20230331710-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO. LTD (CN) 2023-10-19 US disclosed
US-20230331710-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO. LTD (CN) 2023-10-19 US disclosed
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-09-05 US disclosed
US-20070185093-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2007-08-09 US disclosed
US-20070082892-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2007-04-12 US disclosed
US-20070066819-A1 PROCESS FOR THE PREPARATION OF BENZOTRIAZEPINE DERIVATIVES JANSSEN PHARMACUETICA N.V., (BE) 2007-03-22 US disclosed
CN-1238362-C 'Pi' complex compounds BAYER AG (DE) 2006-01-25 CN disclosed
US-6433112-B1 COORDINATION POLYMERIZATION CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2002-08-13 US disclosed
EP-1042336-B1 PI-COMPLEX COMPOUNDS BAYER AG (DE) 2002-04-03 EP disclosed
CN-1284960-A Pi complex compound BAYER AG (DE) 2001-02-21 CN disclosed
EP-1042336-A1 PI-COMPLEX COMPOUNDS Bayer Aktiengesellschaft (DE) 2000-10-11 EP disclosed
WO-1999033852-A1 π-COMPLEX COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1999-07-08 WO disclosed
CN-1145370-A Olefin polymerization catalyst and process for producing polyolefin using the same SUMITOMO CHEMICAL CO (JP) 1997-03-19 CN 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 (9 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-20230331710-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF C9, CFB, C5 CA2 4669/4885ALDH1A1 3003/4885TSHR 3331/4885
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF BCKDK, CYP11B2, HSD17B7 CA2 2818/4885ALDH1A1 348/4885TSHR 3205/4885
US-20070066819-A1 PROCESS FOR THE PREPARATION OF BENZOTRIAZEPINE DERIVATIVES CCKBR, CCKAR, GRPR CA2 1238/4885ALDH1A1 3751/4885TSHR 164/4885
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 CA2 2103/4885ALDH1A1 1532/4885TSHR 4825/4885
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors HAMP, SLC40A1, FANCI CA2 3572/4885ALDH1A1 1674/4885TSHR 2165/4885
US-20070082892-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR CA2 2088/4885ALDH1A1 2440/4885TSHR 287/4885
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS DDB1, DCLRE1A, MDM2 CA2 4709/4885ALDH1A1 1427/4885TSHR 3370/4885
US-20070185093-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR CA2 2088/4885ALDH1A1 2440/4885TSHR 287/4885
US-20240228487-A1 FUSED HETEROCYCLIC COMPOUND AND APPLICATION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND APPLICATION THEREOF TRPM2, TRPM8, TRPM7 CA2 86/4885ALDH1A1 2555/4885TSHR 3852/4885

“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.