SCHEMBL536732

SCHEMBL536732

[CH2]c1ccc2cc3ccccc3cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
CYP3A4 P08684 2/20 0.50
HIF1A Q16665 2/20 0.50
ALOX15 P16050 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HBB P68871 1/20 0.50
CYP2A6 P11509 7/20 0.40
CYP1A2 P05177 3/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
MAPT P10636 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
ACHE P22303 1/20 0.38
GRIN2D O15399 1/20 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
SCHEMBL2463315 1.00 ALDH1A1 (0.50) ALDH1A1HSD17B10TDP1CYP3A4HIF1A
SCHEMBL36452 0.92 CYP2A6 (0.48) ALDH1A1HSD17B10TDP1CYP3A4HIF1A
SCHEMBL27905829 0.89 CYP2A6 (0.46) ALDH1A1HSD17B10TDP1CYP3A4HIF1A
SCHEMBL27838385 0.89 CYP2A6 (0.46) ALDH1A1HSD17B10TDP1CYP3A4HIF1A
SCHEMBL1178667 0.85 CYP2A6 (0.37) ALDH1A1HSD17B10TDP1CYP3A4HIF1A
SCHEMBL28217476 0.85 ALOX5 (0.40) ALDH1A1HSD17B10TDP1CYP3A4HIF1A
SCHEMBL27922290 0.82 CYP2A6 (0.46) ALDH1A1HSD17B10TDP1CYP3A4HIF1A
SCHEMBL21644746 0.82 CYP2A6 (0.46) ALDH1A1HSD17B10TDP1CYP3A4HIF1A
Benz(B)Anthracene SCHEMBL3474922 0.78 ALDH1A1 (0.61) ALDH1A1HSD17B10TDP1CYP3A4HIF1A
Benz(B)Anthracene SCHEMBL22352910 0.78 ALDH1A1 (0.61) ALDH1A1HSD17B10TDP1CYP3A4HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024002966-A1 HYDROPHILIC PHENALENONES AND THEIR USE IN ANTIMICROBIAL PHOTODYNAMIC THERAPY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2024-01-04 WO claimed
EP-4299131-A1 HYDROPHILIC PHENALENONES AND THEIR USE IN ANTIMICROBIAL PHOTODYNAMIC THERAPY Centre national de la recherche scientifique (FR) 2024-01-03 EP claimed
EP-4393935-A1 METHOD FOR PRODUCING 2?-MODIFIED GUANOSINE COMPOUND Nissan Chemical Corporation (JP) 2024-07-03 EP disclosed
CN-118076620-A Process for producing 2' -modified pyrimidine nucleoside 日产化学株式会社 2024-05-24 CN disclosed
CN-117858884-A Process for producing 2' -modified guanosine compound 日产化学株式会社 2024-04-09 CN disclosed
WO-2024002966-A1 HYDROPHILIC PHENALENONES AND THEIR USE IN ANTIMICROBIAL PHOTODYNAMIC THERAPY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2024-01-04 WO disclosed
EP-4299131-A1 HYDROPHILIC PHENALENONES AND THEIR USE IN ANTIMICROBIAL PHOTODYNAMIC THERAPY Centre national de la recherche scientifique (FR) 2024-01-03 EP disclosed
US-11834421-B2 Saturated-ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2023-12-05 US disclosed
CN-111741948-B Saturated ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof 日本烟草产业株式会社 2023-11-10 CN disclosed
EP-3760619-B1 SATURATED RING-CONDENSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUND, AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2023-10-25 EP disclosed
WO-2023054708-A1 METHOD FOR PRODUCING 2' MODIFIED PYRIMIDINE NUCLEOSIDE 日産化学株式会社 2023-04-06 WO disclosed
WO-2008043846-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2008-04-17 WO disclosed
EP-1180765-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS INC (JP) 2005-04-06 EP disclosed
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 EP disclosed
US-6248918-B1 BIS(DIHYDROCARBYLPHOSPHINOYLALKYL)-1,1'-BINAPHTHOL) AND RARE EARTH OR GROUP 3A METAL SALTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
US-4965163-A ETHYLENE-ALKYL ACRYLATE POLYMER CARRIERS FUJI PHOTO FILM CO., LTD. (JP) 1990-10-23 US disclosed
US-4783562-A Process for the preparation of trichloromethyl-substituted aromatic compounds, and trichloromethyl-substituted aromatic compounds obtained in this process BAYER AKTIENGESELLSCHAFT (DE) 1988-11-08 US disclosed
EP-0061029-B1 PROCESS FOR THE PREPARATION OF TRICHLOROMETHYL-SUBSTITUTED AROMATIC COMPOUNDS BAYER AG (DE) 1986-01-08 EP disclosed
US-4500740-A Hydrolysis of water-insoluble organic halides UOP INC. (US) 1985-02-19 US disclosed
EP-0061029-A1 Process for the preparation of trichloromethyl-substituted aromatic compounds BAYER AG (DE) 1982-09-29 EP 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 (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-11834421-B2 Saturated-ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof RORC, RORB, RORA ALDH1A1 252/4885HSD17B10 155/4885TDP1 4547/4885

“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.