SCHEMBL415637

SCHEMBL415637

O=C1CCc2ccc(Br)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.54
METAP1 P53582 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP2 O95551 1/20 0.46
PNMT P11086 1/20 0.46
CMA1 P23946 1/20 0.44
AHR P35869 1/20 0.44
PARP10 Q53GL7 2/20 0.42
PARP11 Q9NR21 1/20 0.42
PARP1 P09874 1/20 0.42
SRD5A1 P18405 4/20 0.41
ASIC3 Q9UHC3 1/20 0.41
HSD17B3 P37058 3/20 0.41
SRD5A2 P31213 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39

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
SCHEMBL354022 0.92 CYP2A6 (0.54) CYP2A6METAP1TDP1L3MBTL1TDP2
Ethylene SCHEMBL5830934 0.88 CYP2A6 (0.50) CYP2A6METAP1TDP1L3MBTL1TDP2
SCHEMBL6195008 0.88 METAP1 (0.44) CYP2A6METAP1TDP1L3MBTL1TDP2
SCHEMBL10182282 0.87 TDP1 (0.48) CYP2A6METAP1TDP1L3MBTL1TDP2
SCHEMBL2591523 0.85 METAP1 (0.52) CYP2A6METAP1TDP1L3MBTL1TDP2
Propene SCHEMBL8162420 0.82 CYP2A6 (0.44) CYP2A6METAP1TDP1L3MBTL1TDP2
SCHEMBL6194916 0.80 METAP1 (0.44) CYP2A6METAP1TDP1L3MBTL1TDP2
SCHEMBL13594 0.79
SCHEMBL9751852 0.78 EGFR (0.40) CYP2A6HSD17B3
Ammonia Solution, Strong SCHEMBL8701960 0.77 PNMT (0.56) METAP1TDP1L3MBTL1TDP2PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388565-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2025-12-25 US disclosed
US-20250325687-A1 CONJUGATE COMPRISING TOLL-LIKE RECEPTOR AGONIST MABSOFT THERAPEUTICS SHANGHAI CO LTD (CN) 2025-10-23 US disclosed
EP-4543871-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND USE THEREOF Relay Therapeutics, Inc. (US) 2025-04-30 EP disclosed
EP-4508061-A1 CONJUGATE COMPRISING TOLL-LIKE RECEPTOR AGONIST Mabsoft Therapeutics (Shanghai) Co., Ltd. (CN) 2025-02-19 EP disclosed
US-12209092-B2 Inhibitors of GLI1 as therapeutic agents NEW YORK UNIVERSITY (US) 2025-01-28 US disclosed
CN-119365479-A Conjugates comprising Toll-like receptor agonists 慕宝盛科生物医药(上海)有限公司 2025-01-24 CN disclosed
WO-2024006781-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-01-04 WO disclosed
WO-2023198195-A1 CONJUGATE COMPRISING TOLL-LIKE RECEPTOR AGONIST MABSOFT THERAPEUTICS (SHANGHAI) CO., LTD. (CN) 2023-10-19 WO disclosed
WO-2023190878-A1 TETRAHYDRONAPHTHALENE DERIVATIVE Atransen Pharma株式会社 2023-10-05 WO disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-5661155-A THYMIDYLATE SYNTHASE INHIBITOR; ADMINISTERING TO THE MAMMAL SUFFERING FROM LEUKEMIA OR TUMOR 2-(5-(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLINE-9-YL) METHYL)AMINO)-1-OXO-2-ISOINDOLINYL)GLUTARIC ACID OR SALTS GLAXO WELLCOME INC. (US) 1997-08-26 US disclosed
WO-1996030333-A1 BICYCLIC AMINE DERIVATIVES AND THEIR USE AS ANTI-PSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1996-10-03 WO disclosed
US-5405851-A Administering benzoquinazoline thymidylate synthase inhibitors BURROUGHS WELLCOME CO. (US) 1995-04-11 US disclosed
EP-0564193-A1 Heteroannulation process ELI LILLY AND COMPANY (US) 1993-10-06 EP disclosed
US-5225596-A Halo substituted aminotetralins THE UPJOHN COMPANY (US) 1993-07-06 US disclosed
EP-0535034-A1 PHARMACEUTICALLY ACTIVE BENZOQUINAZOLINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-07 EP disclosed
CN-1058208-A PHARMACEUTICAL COMPOUNDS WELLCOME FOUND (GB) 1992-01-29 CN disclosed
WO-1991019700-A1 PHARMACEUTICALLY ACTIVE BENZOQUINAZOLINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-12-26 WO disclosed
EP-0452390-A1 HALO SUBSTITUTED AMINOTETRALINS. UPJOHN CO (US) 1991-10-23 EP disclosed
WO-1990007490-A1 HALO SUBSTITUTED AMINOTETRALINS THE UPJOHN COMPANY (US) 1990-07-12 WO 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 (4 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-12209092-B2 Inhibitors of GLI1 as therapeutic agents GLI1, GLI2, SHH CYP2A6 4734/4885METAP1 3204/4885TDP1 2079/4885
US-20250388565-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND METHODS OF USE THEREOF ESRRA, ESRRB, ESR2 CYP2A6 156/4885METAP1 2815/4885TDP1 3903/4885
US-20250325687-A1 CONJUGATE COMPRISING TOLL-LIKE RECEPTOR AGONIST TLR3, TLR7, TLR8 CYP2A6 4593/4885METAP1 1542/4885TDP1 2351/4885
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 CYP2A6 1025/4885METAP1 1926/4885TDP1 2871/4885

“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.