SCHEMBL50091

SCHEMBL50091

Oc1cc[c]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.48
CYP1A2 P05177 1/20 0.41
EP300 Q09472 2/20 0.38
KAT2B Q92831 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
HDAC3 O15379 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
ALOX15 P16050 2/20 0.36
RECQL P46063 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
APP P05067 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
SNCA P37840 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL386939 0.84 HSD17B10 (0.44) IDO1CYP1A2EP300KAT2BKAT8
SCHEMBL1928008 0.76
SCHEMBL152508 0.75 CYP1A2 (0.33) CYP1A2
SCHEMBL9559831 0.74 CYP1A2 (0.40) IDO1CYP1A2MAPTTDP1KDM4E
SCHEMBL2333542 0.73 ALDH1A1 (0.43) IDO1CYP1A2EP300KAT2BKAT8
SCHEMBL249412 0.73 ALDH1A1 (0.43) IDO1CYP1A2EP300KAT2BKAT8
SCHEMBL67474 0.73 CYP1A2 (0.50) CYP1A2MAPTHPGDHSD17B10TSHR
SCHEMBL6633728 0.73 ESR1 (0.32) MAPTALOX15HSD17B10TSHRKDM4E
SCHEMBL6630319 0.73 ALDH1A1 (0.37) MAPTALOX15HSD17B10TSHRKDM4E
SCHEMBL13718969 0.73 CYP2A6 (0.36) MAPTTDP1TSHRKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117820087-A Preparation method of bisphenol A diglycerol ether compound 中国石油化工股份有限公司 2024-04-05 CN claimed
US-11897977-B2 Photolabile barbiturate compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2024-02-13 US claimed
US-11370940-B2 Adhesive article and methods of making and using the same 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-06-28 US claimed
EP-3746489-B1 PHOTOLABILE BARBITURATE COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2022-03-30 EP claimed
US-20210277283-A1 ADHESIVE ARTICLE AND METHODS OF MAKING AND USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY 2021-09-09 US claimed
CN-110709486-B Adhesive articles and methods of making and using the same 3M创新有限公司 2021-04-16 CN claimed
US-20210040240-A1 PHOTOLABILE BARBITURATE COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY 2021-02-11 US claimed
EP-3746490-A1 PHOTOLABILE BETA-DICARBONYL COMPOUNDS 3M Innovative Properties Company (US) 2020-12-09 EP claimed
EP-3746489-A1 PHOTOLABILE BARBITURATE COMPOUNDS 3M Innovative Properties Company (US) 2020-12-09 EP claimed
US-10836844-B2 Redox polymerizable composition with photolabile reducing agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-11-17 US claimed
WO-1997006796-A1 BENZOTHIOPHENE COMPOUNDS ELI LILLY AND COMPANY (US) 1997-02-27 WO claimed
EP-0759434-A1 Benzothiophene compounds ELI LILLY AND COMPANY (US) 1997-02-26 EP claimed
US-5462991-A Pthalein-type ROBOTTI KARLA M (US) 1995-10-31 US claimed
US-5384411-A Phthalien dyes HEWLETT-PACKARD COMPANY (US) 1995-01-24 US claimed
EP-0519198-A2 Immobilization of PH-sensitive dyes to solid supports Hewlett-Packard Company (US) 1992-12-23 EP claimed
EP-0032036-A1 Triarylmethane dyes, photographic recording materials, a process in which they are used, and methods for forming triarylmethane dyes POLAROID CORPORATION (US) 1981-07-15 EP claimed
US-4195180-A Sulfam (na) phthaleins POLAROID CORPORATION (US) 1980-03-25 US claimed
US-4186001-A IRREVERSIBLE CLEAVAGE IN ALKALINE SOLUTION TO FORM COLORLESS COMPOUND POLAROID CORPORATION (US) 1980-01-29 US claimed
US-4185009-A Branched, high-molecular weight thermoplastic polycarbonates BAYER AKTIENGESELLSCHAFT (DE) 1980-01-22 US claimed
US-3931228-A Process for preparing phthalide and naphthalide indicator dyes POLAROID CORPORATION (US) 1976-01-06 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-10836844-B2 Redox polymerizable composition with photolabile reducing agents GPX4, PPOX, NOX4 IDO1 3941/4885CYP1A2 1544/4885EP300 2165/4885
US-11897977-B2 Photolabile barbiturate compounds PPOX, CBR1, CBR3 IDO1 4141/4885CYP1A2 507/4885EP300 3850/4885
US-20210040240-A1 PHOTOLABILE BARBITURATE COMPOUNDS PPOX, CBR1, CBR3 IDO1 4141/4885CYP1A2 507/4885EP300 3850/4885

“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.