SCHEMBL103139

SCHEMBL103139

Cc1ccc2ccccc2c1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.60
TSHR P16473 5/20 0.60
CYP1A2 P05177 5/20 0.60
POLB P06746 1/20 0.56
ALDH1A1 P00352 6/20 0.52
HSD17B10 Q99714 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
HPRT1 P00492 1/20 0.46
HPGD P15428 3/20 0.45
HIF1A Q16665 2/20 0.43
CYP3A4 P08684 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
NCEH1 Q6PIU2 2/20 0.43
CYP1B1 Q16678 1/20 0.42
MAPT P10636 2/20 0.41

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
SCHEMBL29520733 1.00 CYP2A6 (0.60) CYP2A6TSHRCYP1A2POLBALDH1A1
SCHEMBL17710543 0.89 HPRT1 (0.58) CYP2A6TSHRCYP1A2POLBALDH1A1
SCHEMBL10884436 0.81 CYP1A2 (0.62) CYP2A6TSHRCYP1A2POLBALDH1A1
SCHEMBL17710483 0.80 CYP1A2 (0.46) CYP2A6TSHRCYP1A2POLBALDH1A1
SCHEMBL28814927 0.75 CYP2A6 (1.00) CYP2A6TSHRCYP1A2ALDH1A1HSD17B10
SCHEMBL1187756 0.75 POLB (0.60) CYP2A6TSHRCYP1A2POLBALDH1A1
SCHEMBL29736830 0.75 CYP2A6 (1.00) CYP2A6TSHRCYP1A2ALDH1A1HSD17B10
SCHEMBL2951616 0.75 TSHR (0.65) CYP2A6TSHRCYP1A2ALDH1A1HSD17B10
SCHEMBL29352216 0.75 TSHR (0.65) CYP2A6TSHRCYP1A2ALDH1A1HSD17B10
SCHEMBL49861 0.75 CYP2A6 (1.00) CYP2A6TSHRCYP1A2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240254150-A1 CONFORMATIONALLY RESTRICTED SULFONATE BASED PHOSPHINE LIGANDS FOR HINDERED SUZUKI COUPLING REACTIONS TCG GreenChem Inc. (US) 2024-08-01 US claimed
CN-117658981-A Isatin derivative, pharmaceutically acceptable salt, pharmaceutical composition and application 武汉大学人民医院(湖北省人民医院) 2024-03-08 CN claimed
US-11548838-B2 Process for synthesis of polyhydrocarbons as heat transfer agents INDIAN OIL CORPORATION LIMITED (IN) 2023-01-10 US claimed
US-20220242804-A1 Process for Synthesis of Polyhydrocarbons as Heat Transfer Agents INDIAN OIL CORPORATION LIMITED (IN) 2022-08-04 US claimed
EP-4036189-A1 PROCESS FOR SYNTHESIS OF POLYHYDROCARBONS AS HEAT TRANSFER AGENTS Indian Oil Corporation Limited (IN) 2022-08-03 EP claimed
CN-111410624-B Asymmetric naphthalene-pyrrole hybrid diarylethene compound and application thereof 江西科技师范大学 2022-05-06 CN claimed
CN-111410624-A Asymmetric naphthalene-pyrrole hybrid diarylethene compound and application thereof 江西科技师范大学 2020-07-14 CN claimed
CN-108172897-B Solid electrolyte, preparation method thereof and all-solid-state battery 桑德新能源技术开发有限公司 2020-06-30 CN claimed
CN-103570620-B The luxuriant and rich with fragrance compounds of a kind of 1,12-imino group benzo [c], intermediate and preparation method and application 昆山维信诺显示技术有限公司 2016-06-15 CN claimed
CN-105541605-A Synthesis method of axially chiral dinaphthalene ligand precursor (s)-2,2'-dinaphthyl-1,1'-dicarboxylic acid UNIV YANGZHOU 2016-05-04 CN claimed
CN-102079742-B Photochromic naphthalene-thiophene hybrid type perfluorinated cyclopentene compound and synthesis method and application thereof UNIV JIANGXI NORMAL SCI & TECH 2012-11-14 CN claimed
CN-102079742-A Photochromic naphthalene-thiophene hybrid type perfluorinated cyclopentene compound and synthesis method and application thereof JIANGXI NORMAL UNIVERSITY OF SCIENCE & TECHNOLOGY 2011-06-01 CN claimed
EP-0451201-A1 PREPARATION OF BIDENTATE LIGANDS EASTMAN KODAK COMPANY (US) 1991-10-16 EP claimed
US-4946858-A ANTIDIABETIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1990-08-07 US claimed
US-4939309-A REACTING ARYL HALIDE WITH NICKEL-ORGANOPHOSPHINE-ORGANOMETAL-LIC-BIDENTATE LIGAND CATALYST EASTMAN KODAK COMPANY (US) 1990-07-03 US claimed
WO-1990006930-A1 PREPARATION OF BIDENTATE LIGANDS EASTMAN KODAK COMPANY (US) 1990-06-28 WO claimed
EP-0375576-A1 Preparation of bidentate ligands EASTMAN KODAK COMPANY (US) 1990-06-27 EP claimed
US-4900739-A ANTIDIABETIC AGENTS AMERICAN HOME PRODUCTS CORP. (US) 1990-02-13 US claimed
EP-0087269-B1 PLANT GROWTH REGULATORS COALITE GROUP PLC (GB) 1986-11-20 EP claimed
EP-0087269-A1 Plant growth regulators COALITE GROUP PLC (GB) 1983-08-31 EP 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-20240254150-A1 CONFORMATIONALLY RESTRICTED SULFONATE BASED PHOSPHINE LIGANDS FOR HINDERED SUZUKI COUPLING REACTIONS STS, PTPRS, PFKFB1 CYP2A6 2415/4885TSHR 1565/4885CYP1A2 4111/4885

“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.