SCHEMBL5340334

SCHEMBL5340334

COc1ccc(Sc2cccc(C)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.53
HTR2C P28335 1/20 0.52
RELA Q04206 2/20 0.50
PTGIR P43119 4/20 0.47
HTR1A P08908 2/20 0.43
HTR3A P46098 2/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL10710202 0.86 ACHE (0.52) ACHEHTR2CHTR1AHTR3ASMN1; SMN2
SCHEMBL9770219 0.85 HTR2C (0.55) ACHEHTR2CRELAPTGIRMTNR1A
SCHEMBL11823658 0.82 ALDH1A1 (0.54) ACHEHTR2CPTGIRGAASMN1; SMN2
SCHEMBL31038384 0.82 ACHE (0.48) ACHEHTR2CHTR1AHTR3ASMN1; SMN2
SCHEMBL822376 0.82 ACHE (0.48) ACHEHTR2CHTR1AHTR3ASMN1; SMN2
SCHEMBL11125164 0.82 ACHE (0.48) ACHEHTR2CHTR1AHTR3ASMN1; SMN2
SCHEMBL29543680 0.82 ACHE (0.58) ACHEHTR2CHTR1AHTR3ATP53
SCHEMBL29468631 0.82 ACHE (0.58) ACHEHTR2CHTR1AHTR3ATP53
SCHEMBL575896 0.82 ACHE (0.58) ACHEHTR2CHTR1AHTR3ATP53
SCHEMBL31345530 0.81 ACHE (0.53) ACHEHTR2CRELAPTGIRNPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427536-B2 Photocatalyst-free, light-induced carbon-sulfur cross-coupling methods THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2022-08-30 US disclosed
US-20180370911-A1 PHOTOCATALYST-FREE, LIGHT-INDUCED CARBON-SULFUR CROSS-COUPLING METHODS U.S. DEPARTMENT OF ENERGY 2018-12-27 US disclosed
WO-2007064869-A2 CATALYSTS FOR ARYL SULFIDE SYNTHESIS AND METHOD OF PRODUCING ARYL SULFIDES YALE UNIVERSITY (US) 2007-06-07 WO disclosed
WO-2007064869-A2 CATALYSTS FOR ARYL SULFIDE SYNTHESIS AND METHOD OF PRODUCING ARYL SULFIDES YALE UNIVERSITY (US) 2007-06-07 WO 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-20180370911-A1 PHOTOCATALYST-FREE, LIGHT-INDUCED CARBON-SULFUR CROSS-COUPLING METHODS TST, CBS, CRY2 ACHE 2054/4885HTR2C 724/4885RELA 306/4885
US-11427536-B2 Photocatalyst-free, light-induced carbon-sulfur cross-coupling methods TST, CBS, CRY2 ACHE 2054/4885HTR2C 724/4885RELA 306/4885

“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.