SCHEMBL229949

SCHEMBL229949

Fc1[c]c2ccccc2cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX12 P18054 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPRT1 P00492 2/20 0.31

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
SCHEMBL1128123 0.79 CYP2A6 (0.43) CYP2A6CYP1A2ALDH1A1HSD17B10TDP1
SCHEMBL4840796 0.78 CYP2A6 (0.41) CYP2A6CYP1A2ALDH1A1HSD17B10TDP1
SCHEMBL4838237 0.78 CYP2A6 (0.41) CYP2A6CYP1A2ALDH1A1HSD17B10TDP1
SCHEMBL2139310 0.76 HPRT1 (0.50) CYP2A6CYP1A2ALDH1A1TSHRHSD17B10
SCHEMBL18317258 0.74 HPRT1 (0.54) CYP2A6CYP1A2ALOX12ALDH1A1TSHR
SCHEMBL239122 0.74 CYP2A6 (0.37) CYP2A6CYP1A2ALOX12ALDH1A1TSHR
SCHEMBL29045253 0.73 CYP1A2 (0.41) CYP2A6CYP1A2ALDH1A1
SCHEMBL6244052 0.72
SCHEMBL16737102 0.71 CYP1A2 (0.44) CYP2A6CYP1A2ALDH1A1
SCHEMBL3246275 0.70 NPC1 (0.37) CYP1A2ALDH1A1

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 1761 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773586-B Poly (fluorobenzene ester) polymer material and synthetic method thereof 西安交通大学 2024-06-14 CN claimed
CN-117983306-A Catalyst containing PCCP ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
CN-111816772-B Perovskite solar cell, production method thereof and perovskite cell assembly 隆基绿能科技股份有限公司 2024-03-08 CN claimed
CN-115594625-A Method for preparing bazedoxifene 济南明微医药科技有限公司(CN) 2023-01-13 CN claimed
CN-114773586-A Poly (fluorophenyl ester) polymer material and synthesis method thereof 西安交通大学 2022-07-22 CN claimed
CN-110225895-B Base protective film, adhesion preventing member, and method for forming adhesion preventing member 星和电机株式会社 2021-11-02 CN claimed
CN-109705648-B Application of novel fluoronaphthalene ester film-forming assistant in color-changing coating 上海甘田光学材料有限公司 2021-09-24 CN claimed
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 EP claimed
US-10829466-B2 Stilbene derivative and preparation method thereof BEIJING INSTITUTE OF TECHNOLOGY (CN) 2020-11-10 US claimed
CN-111816772-A Perovskite solar cell, production method and perovskite cell component 隆基绿能科技股份有限公司 2020-10-23 CN claimed
US-5461074-A Dipropargyl containing aryl/alkyl sulfur/or sulfonyl/or sulfoxide terminated aminodiol compounds are used as renin inhibitor; therpeutical G.D. SEARLE & CO. (US) 1995-10-24 US claimed
US-5432201-A Alkylaminoalkyl-sulfonyl-terminated β-alanineamide amino-diol compounds for treatment of hypertension G. D. SEARLE & CO. (US) 1995-07-11 US claimed
US-5416119-A Alkylaminoalkyl-terminated sulfide/sulfonyl-containing cycloalkyl-alanine amino-diol compounds for treatment of hypertension G. D. SEARLE & CO. (US) 1995-05-16 US claimed
US-5414018-A Alkylaminoalkyl-terminated sulfide/sulfonyl-containing propargyl amino-diol compounds for treatment of hypertension G. D. SEARLE & CO. (US) 1995-05-09 US claimed
WO-1995008531-A1 ALKYLAMINOALKYL-TERMINATED SULFIDE/SULFONYL-CONTAINING PROPARGYL AMINO-DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1995-03-30 WO claimed
US-5317039-A Renin inhibitors with peptides G. D. SEARLE & CO. (US) 1994-05-31 US claimed
US-5314920-A Renin inhibitors G. D. SEARLE & CO. (US) 1994-05-24 US claimed
US-5312838-A β-alanineamide aryl/alkylsulfide/sulfonyl-terminated amino-diol compounds for treatment of hypertension G. D. SEARLE & CO. (US) 1994-05-17 US claimed
US-5268391-A Cardiovascular disorders C. D. SEARLE & CO. (US) 1993-12-07 US claimed
US-5246969-A Oligopeptides as renin inhibitors G. D. SEARLE & CO. (US) 1993-09-21 US claimed

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

For each of this compound's patents that has machine-readable text (1 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-10829466-B2 Stilbene derivative and preparation method thereof STS, F12, GLB1 CYP2A6 134/4885CYP1A2 210/4885ALOX12 2824/4885

“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.