SCHEMBL637177

SCHEMBL637177

C(OCC1CO1)C1CO1.C=CC(S)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.42
GLA P06280 1/20 0.37
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MGLL Q99685 3/20 0.35
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL16492331 0.79 TDP1 (0.53) TDP1ALDH1A1GLATSHRTP53
SCHEMBL776297 0.76 TSHR (0.38) TDP1ALDH1A1TSHRTP53CYP3A4
Aminodiphenylmethane SCHEMBL27998810 0.76 TDP1 (0.50) TDP1ALDH1A1GLATSHRTP53
Styrene SCHEMBL1355033 0.76 ALDH1A1 (0.50) TDP1ALDH1A1GLATSHRTP53
SCHEMBL5704259 0.76 TDP1 (0.50) TDP1ALDH1A1GLATSHRTP53
SCHEMBL28334094 0.75 ALDH1A1 (0.42) TDP1ALDH1A1GLATSHRTP53
SCHEMBL194266 0.75 TDP1 (0.46) TDP1ALDH1A1GLATSHRTP53
Styrene SCHEMBL28133285 0.74 TDP1 (0.49) TDP1ALDH1A1GLATSHRTP53
SCHEMBL27994199 0.74 TDP1 (0.49) TDP1ALDH1A1GLATSHRTP53
Hydrochloric Acid SCHEMBL11163950 0.74 CYP2C19 (0.36) TDP1ALDH1A1TSHRTP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023058781-A2 NAPHTHALENE COMPOUND, SYNTHESIS METHOD THEREFOR, AND COMPOSITION CONTAINING SAID NAPHTHALENE COMPOUND 四国化成工業株式会社 2023-04-13 WO disclosed
US-8512813-B2 Coating composition, coating film made of same, and optical article MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-08-20 US disclosed
EP-1650275-B1 COATING COMPOSITION, COATING FILM MADE OF SAME, AND OPTICAL ARTICLE MITSUBISHI GAS CHEMICAL CO (JP) 2013-06-26 EP disclosed
US-20120219807-A1 COATING COMPOSITION, COATING FILM MADE OF SAME, AND OPTICAL ARTICLE OKADA HIROYUKI (JP) 2012-08-30 US disclosed
EP-1775315-B1 POLYMERIZABLE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2012-02-22 EP disclosed
US-7691555-B2 Photocurable composition and coating composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-04-06 US disclosed
EP-1652870-B1 PHOTOCURABLE COMPOSITION AND COATING COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2009-06-17 EP disclosed
US-20080097045-A1 Polymerizable Composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-04-24 US disclosed
EP-1775315-A1 POLYMERIZABLE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-04-18 EP disclosed
US-20070066702-A1 Photocurable composition and coating composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-03-22 US disclosed
US-20060167217-A1 Coating composition, coating film made of same, and optical article MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-07-27 US disclosed
EP-1652870-A1 PHOTOCURABLE COMPOSITION AND COATING COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-05-03 EP disclosed
EP-1650275-A1 COATING COMPOSITION, COATING FILM MADE OF SAME, AND OPTICAL ARTICLE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-04-26 EP 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-20060167217-A1 Coating composition, coating film made of same, and optical article TET1, FDFT1, TMT1A TDP1 1585/4885ALDH1A1 523/4885GLA 3884/4885

“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.