SCHEMBL4421082

SCHEMBL4421082

Brc1cc2ccccc2c(-c2cccc3ccccc23)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
HIF1A Q16665 2/20 0.43
CYP1B1 Q16678 1/20 0.43
CES1 P23141 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DHFR P00374 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALPL P05186 1/20 0.39
GAA P10253 1/20 0.39
TYMP P19971 1/20 0.38
DNMT1 P26358 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.37
CA12 O43570 2/20 0.37

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
SCHEMBL7018433 0.82 TYMP (0.43) ALDH1A1HSD17B10HIF1ACYP1B1CES1
SCHEMBL29874641 0.82 HKDC1 (0.49) ALDH1A1HSD17B10HIF1ACYP1B1CES1
SCHEMBL28254837 0.80 SOS1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1CES1
SCHEMBL338172 0.80 CES1 (0.55) ALDH1A1HSD17B10HIF1ACYP1B1CES1
SCHEMBL369327 0.79 DNMT1 (0.50) ALDH1A1HSD17B10HIF1ACYP1B1CES1
SCHEMBL30125426 0.79 DNMT1 (0.50) ALDH1A1HSD17B10HIF1ACYP1B1CES1
SCHEMBL6958036 0.78 GPR84 (0.40) ALDH1A1HSD17B10HIF1ACES1GPR84
SCHEMBL1680196 0.76 DHFR (0.43) ALDH1A1HSD17B10HPGDTSHRDHFR
SCHEMBL7243627 0.76 CES1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1CES1
SCHEMBL29351773 0.76 DHFR (0.43) ALDH1A1HSD17B10HPGDTSHRDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115215893-A Binaphthyl deep blue light organic material and preparation method and application thereof 北部湾大学 2022-10-21 CN claimed
CN-113831628-A Porous plum blossom pipe and preparation method thereof 义博通信设备集团股份有限公司 2021-12-24 CN claimed
CN-111606946-A Synthetic method of 2,2 '-bis-diphenylphosphino-1, 1' -binaphthyl 严文忠 2020-09-01 CN claimed
JP-10130286-A None JP disclosed
CN-111303011-B Organic compound, light emitting diode having the same, and light emitting device 乐金显示有限公司 2023-06-16 CN disclosed
CN-115215893-A Binaphthyl deep blue light organic material and preparation method and application thereof 北部湾大学 2022-10-21 CN disclosed
CN-113831628-A Porous plum blossom pipe and preparation method thereof 义博通信设备集团股份有限公司 2021-12-24 CN disclosed
CN-111606946-A Synthetic method of 2,2 '-bis-diphenylphosphino-1, 1' -binaphthyl 严文忠 2020-09-01 CN disclosed
CN-111606946-A Synthetic method of 2,2 '-bis-diphenylphosphino-1, 1' -binaphthyl 严文忠 2020-09-01 CN disclosed
CN-111303011-A Organic compound, light emitting diode and light emitting device having the same 乐金显示有限公司 2020-06-19 CN disclosed
CN-111217714-A Luminescent material and application thereof 北京鼎材科技有限公司 2020-06-02 CN disclosed
US-20040010149-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2004-01-15 US disclosed
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 EP disclosed
US-20020156295-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2002-10-24 US disclosed
US-6395916-B1 AMINE, PHOSPHINE LIGANDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2002-05-28 US disclosed
CN-1350768-A Cyclometallated metal complexes as phosphorescent dopants in organic light emitting devices UNIV SOUTHERN CALIFORNIA (US) 2002-05-22 CN disclosed
US-6307087-B1 USE OF CATALYSTS COMPRISING THESE LIGANDS IN TRANSITION METAL-CATALYZED CARBON-HETEROATOM AND CARBON-CARBON BOND-FORMING REACTIONS. MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2001-10-23 US disclosed
EP-1097158-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-09 EP disclosed
WO-2000002887-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-01-20 WO disclosed
JP-H10130286-A NEW OPTICALLY ACTIVE DIPHOSPHINE, ITS DERIVED TRANSITION METAL COMPLEX, AND PRODUCTION OF OPTICALLY ACTIVE SUBSTANCE TAKASAGO INTERNATL CORP 1998-05-19 JP 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 (2 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-20040010149-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SOD1, SLC30A6 ALDH1A1 2074/4885HSD17B10 1742/4885HIF1A 2637/4885
US-20020156295-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SOD1, SLC30A6 ALDH1A1 2074/4885HSD17B10 1742/4885HIF1A 2637/4885

“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.