SCHEMBL2643038

SCHEMBL2643038

CCOc1ccc([S])cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.74
TSHR P16473 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
LTA4H P09960 2/20 0.54
ALDH1A1 P00352 3/20 0.53
HPGD P15428 1/20 0.53
MAPT P10636 2/20 0.52
PSMB8 P28062 1/20 0.48
ESR2 Q92731 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 2/20 0.48
PARP10 Q53GL7 1/20 0.48
RELA Q04206 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48

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
Fluoride SCHEMBL9841855 0.87 NQO1 (0.56) NQO1TSHRTDP1LTA4HALDH1A1
Fluoride SCHEMBL9841641 0.87 NQO1 (0.56) NQO1TSHRTDP1LTA4HALDH1A1
1,4-Diethoxybenzene SCHEMBL28186701 0.86 NQO1 (1.00) NQO1TSHRTDP1LTA4HALDH1A1
1,4-Diethoxybenzene SCHEMBL124015 0.86 NQO1 (1.00) NQO1TSHRTDP1LTA4HALDH1A1
Fluoride SCHEMBL9841601 0.85 NQO1 (0.54) NQO1TSHRTDP1LTA4HALDH1A1
1,4-Diethoxybenzene SCHEMBL11794798 0.83 NQO1 (0.93) NQO1TSHRTDP1LTA4HALDH1A1
1,4-Diethoxybenzene SCHEMBL27616183 0.80 NQO1 (0.88) NQO1TSHRTDP1LTA4HALDH1A1
SCHEMBL1802398 0.80 LTA4H (0.57) TSHRLTA4HCA12CA1CA2
SCHEMBL1806727 0.80 LTA4H (0.55) NQO1LTA4HALDH1A1HPGDMAPT
SCHEMBL9155582 0.78 NQO1 (0.82) NQO1TSHRTDP1LTA4HALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114423742-B Benzotriazole-based compound, light absorber and resin composition 三井化学株式会社 2024-05-28 CN disclosed
CN-117466830-A Benzotriazole-based compound, light absorber and resin composition 三井化学株式会社 2024-01-30 CN disclosed
WO-2024005030-A1 DIPHENYLETHENE-BASED COMPOUND, LIGHT ABSORBER, RESIN COMPOSITION, AND USE THEREOF 山本化成株式会社 2024-01-04 WO disclosed
CN-113711113-B Optical material, polymerizable composition for optical material, plastic lens, goggles, infrared sensor, and infrared camera 三井化学株式会社 2023-07-28 CN disclosed
CN-114423742-A Benzotriazole compound, light absorber, and resin composition 三井化学株式会社 2022-04-29 CN disclosed
EP-3611175-B1 NAPHTHALOCYANINE COMPOUND, METHOD FOR PRODUCING SAME, AND USE THEREOF YAMAMOTO CHEMICALS INC (JP) 2022-02-09 EP disclosed
CN-113711113-A Optical material, polymerizable composition for optical material, plastic lens, eyewear, infrared sensor, and infrared camera 三井化学株式会社 2021-11-26 CN disclosed
US-11174274-B2 Naphthalocyanine compound, method for producing same, and use thereof YAMAMOTO CHEMICALS, INC. (JP) 2021-11-16 US disclosed
US-20210107924-A1 NAPHTHALOCYANINE COMPOUND, METHOD FOR PRODUCING SAME, AND USE THEREOF YAMAMOTO CHEMICALS, INC. (JP) 2021-04-15 US disclosed
WO-2021054459-A1 BENZOTRIAZOLE COMPOUND, LIGHT ABSORBER, AND RESIN COMPOSITION 三井化学株式会社 2021-03-25 WO disclosed
EP-0116341-B1 2H-V-TRIAZOLYL(4,5-D)-PYRIMIDINES AND THEIR USE BASF Aktiengesellschaft (DE) 1986-05-07 EP disclosed
EP-0163550-A2 Mitomycin derivatives, preparation thereof and pharmaceutical compositions containing them KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1985-12-04 EP disclosed
EP-0162216-A1 2,4,5-Triphenyl-1,2,3-triazoles and thier use BASF Aktiengesellschaft (DE) 1985-11-27 EP disclosed
EP-0116341-A1 2H-V-Triazolyl(4,5-D)-pyrimidines and their use BASF Aktiengesellschaft (DE) 1984-08-22 EP disclosed
US-4271071-A MONOAZO DYES FOR SYNTHETIC FIBERS EASTMAN KODAK COMPANY (US) 1981-06-02 US disclosed
US-4247458-A COUPLING DIAZONIUM SALT WITH DISPERSE DYE COUPLER WITH DISPLACEABLE GROUP OTHER THAN HYDROGEN EASTMAN KODAK COMPANY (US) 1981-01-27 US disclosed
US-4189428-A DYEABILITY, COLORFASTNESS, RESISTANCE TO SUBLIMATION, IMPROVED BRIGHTNESS EASTMAN KODAK COMPANY (US) 1980-02-19 US disclosed
US-4140683-A DISPERSE DYES FOR POLYESTERS EASTMAN KODAK COMPANY (US) 1979-02-20 US disclosed
US-4049643-A DYES FOR POLYESTERS EASTMAN KODAK COMPANY (US) 1977-09-20 US disclosed
US-3992377-A 3-Thio-substituted cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1976-11-16 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 (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-20210107924-A1 NAPHTHALOCYANINE COMPOUND, METHOD FOR PRODUCING SAME, AND USE THEREOF MRPS9, INTS9, RPL19 NQO1 471/4885TSHR 1693/4885TDP1 4625/4885
US-11174274-B2 Naphthalocyanine compound, method for producing same, and use thereof MRPS9, INTS9, RPL19 NQO1 471/4885TSHR 1693/4885TDP1 4625/4885

“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.