SCHEMBL288550

SCHEMBL288550

Pc1cccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
BCL2L1 Q07817 1/20 0.42
CYP2A6 P11509 1/20 0.42
MAPK1 P28482 1/20 0.42
HNF4A P41235 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
BACE1 P56817 1/20 0.39
DPP4 P27487 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ENPP1 P22413 1/20 0.37
TDP1 Q9NUW8 1/20 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
SCHEMBL30114855 1.00 ALDH1A1 (0.42) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL8393810 0.98 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL4061121 0.91 HNF4A (0.39) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL192418 0.84 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL27608314 0.82 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
Water SCHEMBL432858 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL366715 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL2806539 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL9469764 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
Ammonia Solution, Strong SCHEMBL21647364 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110357989-B Tertiary amine photosensitizer, preparation method thereof, photosensitive resin composition containing tertiary amine photosensitizer and application of photosensitive resin composition 常州强力电子新材料股份有限公司 2022-04-22 CN claimed
CN-113087746-A Palladium tris (biaryl) phosphine complexes and their use 东莞市均成高新材料有限公司 2021-07-09 CN claimed
CN-111221215-A Photosensitive resin composition and application thereof 常州强力先端电子材料有限公司 2020-06-02 CN claimed
EP-3299375-A1 NOBLE METAL NANOPARTICLES COATED WITH TERPHENYLPHOSPHINE LIGANDS FOR H2 GENERATION FROM AMMONIA-BORANE AND ALCOHOLS Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2018-03-28 EP claimed
EP-2850087-B1 BETA-BORATION OF ALKENE AND ALKYNE INTERMEDIATES LEK PHARMACEUTICALS (SI) 2017-08-02 EP claimed
CN-102414162-B Process for the preparation of vinyl esters from acetylene and carboxylic acids using homogeneous catalysts CELANESE INTERNATIONAL CORP. (US) 2014-10-29 CN claimed
EP-2427419-B1 VINYL ESTER PRODUCTION FROM ACETYLENE AND CARBOXYLIC UTILIZING HOMOGENEOUS CATALYST CELANESE INT CORP (US) 2014-06-18 EP claimed
EP-2647640-A1 ß-boration of alkene and alkyne intermediates LEK Pharmaceuticals d.d. (SI) 2013-10-09 EP claimed
EP-2647639-A1 ß-boration of alkene and alkyne intermediates LEK Pharmaceuticals d.d. (SI) 2013-10-09 EP claimed
US-8536367-B2 Vinyl ester production from acetylene and carboxylic acid utilizing homogeneous catalyst CELANESE INTERNATIONAL CORP. (US) 2013-09-17 US claimed
US-8173830-B2 For example, reacting acetyene and benzoic acid or neodecanoic acid to make vinyl benzoate or vinyl neodecanoate respectively on industrial scale using a iridium, palladium, platinum, or rhodium complex catalyst with use of certain ligands and additives CELANESE INTERNATIONAL CORPORATION (US) 2012-05-08 US claimed
CN-102421743-A Vinyl ester production from acetylene and carboxylic acid utilizing heterogeneous catalyst CELANESE INT CORP 2012-04-18 CN claimed
CN-102414162-A Process for the preparation of vinyl esters from acetylene and carboxylic acids using homogeneous catalysts CELANESE INT CORP 2012-04-11 CN claimed
EP-2427419-A2 VINYL ESTER PRODUCTION FROM ACETYLENE AND CARBOXYLIC UTILIZING HOMOGENEOUS CATALYST Celanese International Corporation (US) 2012-03-14 EP claimed
US-7982065-B2 Vinyl ester production from acetylene and carboxylic acid utilizing heterogeneous catalyst CELANESE INTERNATIONAL CORPORATION (US) 2011-07-19 US claimed
US-20100286441-A1 Vinyl Ester production from Acetylene and Carboxylic Acid utilizing heterogeneous catalyst CELANESE INTERNATIONAL CORPORATION 2010-11-11 US claimed
US-20100286440-A1 Vinyl Ester production from Acetylene and Carboxylic Acid utilizing homogeneous catalyst CELANESE INTERNATIONAL CORPORATION (US) 2010-11-11 US claimed
WO-2010129030-A2 VINYL ESTER PRODUCTION FROM ACETYLENE AND CARBOXYLIC UTILIZING HOMOGENEOUS CATALYST CELANESE INTERNATIONAL CORPORATION (US) 2010-11-11 WO claimed
CN-115850329-A Cycloterpyriaryl phosphines, their preparation and use 东莞市均成高新材料有限公司 2023-03-28 CN disclosed
WO-1992001766-A1 FERROELECTRIC LIQUID CRYSTAL COMPOSITIONS CONTAINING HALOGENATED CORES AND CHIRAL HALOALKOXY TAIL UNITS DISPLAYTECH, INC. (US) 1992-02-06 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 (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-20100286441-A1 Vinyl Ester production from Acetylene and Carboxylic Acid utilizing heterogeneous catalyst ACACA, ACACB, PCCA ALDH1A1 145/4885HSD17B10 170/4885HPGD 299/4885
US-20100286440-A1 Vinyl Ester production from Acetylene and Carboxylic Acid utilizing homogeneous catalyst ACACA, ACACB, ELL ALDH1A1 131/4885HSD17B10 165/4885HPGD 417/4885

“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.