SCHEMBL394867

SCHEMBL394867

[CH2]c1ccc(C)c(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
TSHR P16473 2/20 0.35
CYP2A6 P11509 1/20 0.35
TDP2 O95551 1/20 0.35
NSD2 O96028 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PAX8 Q06710 1/20 0.35
POLB P06746 1/20 0.32
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.32
ACHE P22303 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
SCHEMBL11464954 0.87 ACHE (0.33) TSHRACHE
SCHEMBL37955 0.79 TSHR (0.45) CYP1A2TSHRCYP2A6TDP2NSD2
SCHEMBL5494672 0.79 TSHR (0.45) CYP1A2TSHRCYP2A6TDP2NSD2
SCHEMBL7612449 0.79 CYP1A2 (0.33) CYP1A2TSHRCYP2A6TDP2NSD2
SCHEMBL10592780 0.79 POLB (0.31) CYP1A2POLB
SCHEMBL571577 0.75 TSHR (0.43) CYP1A2TSHRCYP2A6TDP2NSD2
SCHEMBL10346182 0.75 TSHR (0.43) CYP1A2TSHRCYP2A6TDP2NSD2
SCHEMBL5181689 0.75 TSHR (0.43) CYP1A2TSHRCYP2A6TDP2NSD2
SCHEMBL5958211 0.75 TRPA1 (0.39) CYP1A2TSHRCYP2A6TDP2NSD2
SCHEMBL231107 0.73

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 1486 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240026432-A1 POLYVINYL SULFONATE DETECTION AND REMOVAL FROM BIOMOLECULE COMPOSITIONS AMGEN INC. 2024-01-25 US claimed
EP-4229219-A2 POLYVINYL SULFONATE DETECTION AND REMOVAL FROM BIOMOLECULE COMPOSITIONS Amgen Inc. (US) 2023-08-23 EP claimed
CN-116368239-A Detection and removal of polyvinylsulfonates from biomolecular compositions 美国安进公司 2023-06-30 CN claimed
WO-2022081939-A2 POLYVINYL SULFONATE DETECTION AND REMOVAL FROM BIOMOLECULE COMPOSITIONS AMGEN INC. (US) 2022-04-21 WO claimed
US-11248011-B2 Phosphorus-based releasing agent, optical polymerizable composition comprising same and preparation thereof SKC CO., LTD. (KR) 2022-02-15 US claimed
US-20190263846-A1 PHOSPHORUS-BASED RELEASING AGENT, OPTICAL POLYMERIZABLE COMPOSITION COMPRISING SAME AND PREPARATION THEREOF SK PUCORE CO., LTD. (KR) 2019-08-29 US claimed
EP-3530684-A1 PHOSPHORUS-BASED RELEASING AGENT, OPTICAL POLYMERIZABLE COMPOSITION COMPRISING SAME AND PREPARATION THEREOF SKC Co., Ltd. (KR) 2019-08-28 EP claimed
US-20160304459-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND APPLICATION THEREFOR TOKYO UNIVERSITY OF PHARMACY & LIFE SCIENCES (JP) 2016-10-20 US claimed
EP-2757180-A1 A process for electrolytically depositing a tin- and ruthenium-based alloy, the electrolytic bath that permits said alloy to deposit and the alloy obtained by means of said process Valmet S.p.A. (IT) 2014-07-23 EP claimed
US-8299072-B2 Pyrazolylmethylamine compounds as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-30 US claimed
US-5359017-A Using an organoiron compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-10-25 US claimed
WO-1994022911-A2 A PROCESS AND INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF PLATELET GLYCOPROTEIN IIb/IIIa INHIBITORS CONTAINING Nα-METHYLARGININE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO claimed
US-5192767-A Nonphytotoxic BASF AKTIENGESELLSCHAFT (DE) 1993-03-09 US claimed
EP-0511405-A1 CATIONICALLY POLYMERIZABLE ORGANIC MATERIAL COMPOSITION AND STABILIZATION OF SAID COMPOSITION NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1992-11-04 EP claimed
EP-0422843-A2 6-0 Methylerythromycin A oxime derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1991-04-17 EP claimed
US-4976889-A 4-formylaminopiperidine derivatives, their use as stabilizers and organic material stabilized with the said derivatives BASF AKTIENGESELLSCHAFT (DE) 1990-12-11 US claimed
US-4931509-A EPOXY-CONTAINING MONOMER; EXCELLENT VULCANIZING WITH UREAS, QUATERNARY AMMONIUM AND PHOSPHONIUM SALTS AND POLYCARBOXYLIC ACIDS OR ANHYDRIDES NIPPON ZEON CO., LTD. (JP) 1990-06-05 US claimed
US-4792644-A ZEOLITE AND QUATERNARY AMMONIUM SALT TOSOH CORPORATION (JP) 1988-12-20 US claimed
EP-0073566-A1 Methods and compositions for combating soil pests IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-03-09 EP claimed
US-4162278-A Flame retardant polyphenylene ether resin compositions containing a pentaerythrityl phosphonate AMERICAN CYANAMID COMPANY (US) 1979-07-24 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 (3 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-20190263846-A1 PHOSPHORUS-BASED RELEASING AGENT, OPTICAL POLYMERIZABLE COMPOSITION COMPRISING SAME AND PREPARATION THEREOF PMM2, PGM2, IPMK CYP1A2 3612/4885TSHR 4018/4885CYP2A6 2896/4885
US-11248011-B2 Phosphorus-based releasing agent, optical polymerizable composition comprising same and preparation thereof PMM2, PGM2, IPMK CYP1A2 3612/4885TSHR 4018/4885CYP2A6 2896/4885
US-20160304459-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND APPLICATION THEREFOR VIP, MRPL21, THEM6 CYP1A2 4709/4885TSHR 3996/4885CYP2A6 4157/4885

“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.