SCHEMBL195377

SCHEMBL195377

[c]1c2ccccc2cc2cc3ccccc3cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
HIF1A Q16665 2/20 0.36
ALOX15 P16050 1/20 0.36
HBB P68871 1/20 0.36
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.35
GLA P06280 1/20 0.35
ACHE P22303 1/20 0.35
CYP2A6 P11509 6/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ALOX12 P18054 1/20 0.33
NQO2 P16083 1/20 0.33
PDPK1 O15530 1/20 0.33
CYP1A2 P05177 3/20 0.32

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
SCHEMBL15366850 0.98 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL15366386 0.92 ALDH1A1 (0.40) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL24252 0.89 CYP2A6 (0.41) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL28076506 0.87 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL1776822 0.82 CYP1A2 (0.38) ALDH1A1HSD17B10TDP1HPGDMAPT
SCHEMBL27472111 0.82 ALDH1A1 (0.36) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL509988 0.82 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL508847 0.81 CYP2A6 (0.39) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL14057855 0.81 ESR1 (0.39) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL508867 0.81 CYP2A6 (0.44) ALDH1A1HSD17B10CYP3A4TDP1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030092637-A1 Novel compounds XYLOGEN AB (SE) 2003-05-15 US claimed
US-4882358-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1989-11-21 US claimed
US-20240231230-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM NISSAN CHEMICAL CORPORATION (JP) 2024-07-11 US disclosed
US-20240201593-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM NISSAN CHEMICAL CORPORATION (JP) 2024-06-20 US disclosed
CN-113795938-B Organic light-emitting element, laminate, and light-emitting method 九州有机光材股份有限公司 2024-05-28 CN disclosed
US-11970562-B2 Retardation film and production method for retardation film ZEON CORPORATION (JP) 2024-04-30 US disclosed
WO-2024070862-A1 PHTHALOCYANINE PIGMENT, PHTHALOCYANINE COMPOUND, COLORING COMPOSITION, METHOD FOR PRODUCING PHTHALOCYANINE PIGMENT, AND METHOD FOR PRODUCING COLORING COMPOSITION 富士フイルム株式会社 2024-04-04 WO disclosed
WO-2024063044-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM 日産化学株式会社 2024-03-28 WO disclosed
CN-111527094-B Compound, polymer compound, material for organic element, organic electroluminescent element, display device, and lighting device 学校法人关西学院 2024-03-26 CN disclosed
US-11926765-B2 Adhesive composition for peeling off by irradiation with light, layered product, and production method and peeling method for layered product NISSAN CHEMICAL CORPORATION (JP) 2024-03-12 US disclosed
US-20240069441-A1 COMPOSITION FOR RESIST UNDERLYING FILM FORMATION NISSAN CHEMICAL CORPORATION (JP) 2024-02-29 US disclosed
US-4882358-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1989-11-21 US disclosed
US-4827034-A ANTITUMOR BURROUGHS WELLCOME CO. (US) 1989-05-02 US disclosed
US-4818443-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1989-04-04 US disclosed
US-4814502-A ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS BURROUGHS WELLCOME CO. (US) 1989-03-21 US disclosed
US-4810823-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1989-03-07 US disclosed
US-4808753-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1989-02-28 US disclosed
US-4791233-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1988-12-13 US disclosed
US-4791232-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1988-12-13 US disclosed
US-4791231-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1988-12-13 US 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-20030092637-A1 Novel compounds ENTPD5, G6PD, G6PC1 ALDH1A1 986/4885HSD17B10 859/4885CYP3A4 2594/4885

“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.