SCHEMBL3385902

SCHEMBL3385902

O=c1c2ccccc2oc2c([N+](=O)[O-])cccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.57
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPT P10636 2/20 0.53
GLA P06280 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
PGAM1 P18669 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
LMNA P02545 3/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CSNK2A2 P19784 1/20 0.52
CSNK2B P67870 1/20 0.52
CSNK2A1 P68400 1/20 0.52
CSNK2A3 Q8NEV1 1/20 0.52
CYP19A1 P11511 3/20 0.52

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
SCHEMBL17917509 0.88 KMT2A (0.54) MAOAALDH1A1MAPTLMNACSNK2A2
SCHEMBL4324926 0.82 MAOA (0.60) MAOAALDH1A1KDM4EMAPTGLA
SCHEMBL9182503 0.82 CYP19A1 (0.56) MAOAALDH1A1KDM4EMAPTGLA
SCHEMBL11151056 0.82 PTGS2 (0.64) MAOAALDH1A1KDM4EMAPTGLA
SCHEMBL25379884 0.78 CSNK2A2 (0.77) MAOAMAPTCSNK2A2CSNK2BCSNK2A1
SCHEMBL10502060 0.78 CYP19A1 (0.55) MAOAALDH1A1KDM4EMAPTGLA
SCHEMBL3364130 0.77 GPR35 (0.52) MAOAALDH1A1MAPTLMNAGPR35
SCHEMBL29506802 0.76 ALDH1A1 (0.57) ALDH1A1MAPTLMNAMEN1GAA
SCHEMBL782755 0.76 ALDH1A1 (0.57) ALDH1A1MAPTLMNAMEN1GAA
SCHEMBL31116911 0.76 MAPT (0.56) MAOAALDH1A1KDM4EMAPTGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5176854-A Xanthone Derivatives HITACHI, LTD. (JP) 1993-01-05 US claimed
US-20230037858-A1 COMPOSITION CONTAINING ADDITION CONDENSATION PRODUCT, METHOD FOR PRODUCING SAME, USE OF SAME, POLYMERIZATION VESSEL, AND METHOD FOR PRODUCING POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-02-09 US disclosed
US-11345651-B2 Addition condensation product, production method and use of same, polymerization vessel, and production method of polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-31 US disclosed
US-20210403405-A1 ADDITION CONDENSATION PRODUCT, PRODUCTION METHOD AND USE OF SAME, POLYMERIZATION VESSEL, AND PRODUCTION METHOD OF POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-12-30 US disclosed
US-20210403611-A1 PRODUCTION METHOD OF ADDITION CONDENSATION PRODUCT SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-12-30 US disclosed
EP-1896467-B1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-01 EP disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US disclosed
CN-85107531-A Process for producing vinyl chloride polymer 1987-01-21 CN disclosed
US-4574114-A Photosensitive composition for electrophotography having polyvinyl carbazole and silicone oil MITA INDUSTRIAL COMPANY, LTD. (JP) 1986-03-04 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed
US-4521504-A DICHROMATIC IMAGES-CONDUCTIVE SUBSTRATE LAMINATED WITH PHOTOCONDUCTIVE RICOH COMPANY, LTD. (JP) 1985-06-04 US disclosed
US-4469769-A Photosensitive material for electrophotography contains halo-benzoquinone sensitizer MITA INDUSTRIAL CO. LTD. (JP) 1984-09-04 US disclosed
EP-0114482-A2 A photosensitive composition for electrophotography MITA INDUSTRIAL CO. LTD. (JP) 1984-08-01 EP disclosed
EP-0100581-A2 Photosensitive material for electrophotography MITA INDUSTRIAL CO. LTD. (JP) 1984-02-15 EP disclosed
US-4370398-A Electrostatic copying process RICOH COMPANY, LTD. (JP) 1983-01-25 US disclosed
US-4361638-A AMORPHOUS SILICON AND CARBON BASE MATERIAL DOPED WITH HYDROGEN AND FLUORINE FUJI PHOTO FILM CO., LTD. (JP) 1982-11-30 US disclosed
US-4267344-A 3-PENTA/ALKOXY/BENZYL-; -XANTHYL-, -THIOXANTHYL-, OR -SELENOXANTHYLOXAZOLIDINE-2,5-DIONES PROTEINKEMISK INSTITUT. TILKNYTTET AKADEMIET FOR DE TEKNISKE VIDENSKABER (DK) 1981-05-12 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 (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-20090275610-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 MAOA 555/4885ALDH1A1 927/4885KDM4E 2206/4885
US-11345651-B2 Addition condensation product, production method and use of same, polymerization vessel, and production method of polymer MCCC2, PYCARD, PCCA MAOA 386/4885ALDH1A1 2590/4885KDM4E 1432/4885
US-20210403405-A1 ADDITION CONDENSATION PRODUCT, PRODUCTION METHOD AND USE OF SAME, POLYMERIZATION VESSEL, AND PRODUCTION METHOD OF POLYMER MCCC2, PYCARD, PCCA MAOA 386/4885ALDH1A1 2590/4885KDM4E 1432/4885

“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.