SCHEMBL729534

SCHEMBL729534

Nc1[c]c2ccccc2cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 4/20 0.37
CYP3A4 P08684 4/20 0.37
TDP1 Q9NUW8 2/20 0.36
ALOX15 P16050 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
HBB P68871 1/20 0.36
HIF1A Q16665 1/20 0.36
NCF1 P14598 1/20 0.34
NOS2 P35228 1/20 0.34
BACE1 P56817 1/20 0.34
CYP2A6 P11509 2/20 0.33
TSHR P16473 2/20 0.33
ALOX12 P18054 1/20 0.33
PDPK1 O15530 1/20 0.33
HPGD P15428 1/20 0.32
KEAP1 Q14145 1/20 0.32
HPRT1 P00492 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5634758 1.00 ALDH1A1 (0.37) ALDH1A1HSD17B10CYP3A4TDP1ALOX15
SCHEMBL7512777 0.88 CYP2A6 (0.30) ALDH1A1HSD17B10CYP3A4CYP2A6
SCHEMBL7711608 0.88 ALDH1A1 (0.30) ALDH1A1HSD17B10CYP3A4
SCHEMBL1804342 0.79 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP3A4TDP1ALOX15
SCHEMBL7622438 0.78
SCHEMBL8571906 0.76 HPRT1 (0.50) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL239122 0.74 CYP2A6 (0.37) ALDH1A1HSD17B10CYP3A4TDP1HIF1A
SCHEMBL8359885 0.70 MEN1 (0.42) ALDH1A1HSD17B10CYP3A4TDP1ALOX15
SCHEMBL232049 0.70 CYP2A6 (0.37) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL229949 0.70 CYP2A6 (0.37) ALDH1A1HSD17B10TDP1CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116034301-A System and method for simultaneous near infrared and visible imaging 光明之火生物科学公司 2023-04-28 CN claimed
CN-115594625-A Method for preparing bazedoxifene 济南明微医药科技有限公司(CN) 2023-01-13 CN claimed
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 EP claimed
US-10829466-B2 Stilbene derivative and preparation method thereof BEIJING INSTITUTE OF TECHNOLOGY (CN) 2020-11-10 US claimed
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF BEIJING INSTITUTE OF TECHNOLOGY (CN) 2020-05-14 US claimed
EP-3285099-B1 DYE-TYPE POLARIZING ELEMENT, AND POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE USING SAME NIPPON KAYAKU KK (JP) 2019-10-23 EP claimed
US-10007142-B2 Dye-based polarizer as well as polarizing plate and liquid crystal display device using the polarizer NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2018-06-26 US claimed
US-20180074371-A1 DYE-BASED POLARIZER AS WELL AS POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE USING THE POLARIZER POLATECHNO CO., LTD. (JP) 2018-03-15 US claimed
EP-3285099-A1 DYE-TYPE POLARIZING ELEMENT, AND POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE USING SAME Nippon Kayaku Kabushiki Kaisha (JP) 2018-02-21 EP claimed
CN-107003466-A Dye-based polarizing element, and polarizing plate and liquid crystal display device using same 日本化药株式会社 2017-08-01 CN claimed
US-4444875-A LAYER OF A TETRAZOLIUM COMPOUND KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1984-04-24 US claimed
EP-0081972-A1 Two-part, two-tier cure adhesive composition LOCTITE CORPORATION (US) 1983-06-22 EP claimed
EP-0044166-A1 Butadiene toughened adhesive composition LOCTITE CORPORATION (US) 1982-01-20 EP claimed
EP-0040079-A1 Polyisoprene toughened adhesive composition LOCTITE CORPORATION (US) 1981-11-18 EP claimed
WO-1981003177-A1 POLYISOPRENE TOUGHENED ADHESIVE COMPOSITION LOCTITE CORP (US) 1981-11-12 WO claimed
US-4176143-A MIXTURE WITH ONE OR MORE POLYMERS HAVING HYDROXYL GROUPS AND/OR 1,2-EPOXY GROUPS, COATINGS HOECHST AKTIENGESELLSCHAFT (DE) 1979-11-27 US claimed
US-4144230-A Soluble trisazo dyestuffs containing a 2-phenyl-benzimidazolyl, -benzoxazolyl or -benzthiazolyl middle component CASSELLA AKTIENGESELLSCHAFT (DE) 1979-03-13 US claimed
US-4033945-A Water-soluble trisazo 8-amino-naphthol-1 dyes CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-07-05 US claimed
US-3969339-A Water-soluble pentakis-azo dyestuffs derived from 4,4'-diaminoazobenzene PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-07-13 US claimed
US-3931678-A Dental filling method and composition formed thereby LOCTITE (IRELAND) LIMITED (EI) 1976-01-13 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 (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-10829466-B2 Stilbene derivative and preparation method thereof STS, F12, GLB1 ALDH1A1 449/4885HSD17B10 86/4885CYP3A4 1011/4885
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF STS, F12, STK38L ALDH1A1 415/4885HSD17B10 70/4885CYP3A4 1376/4885

“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.