SCHEMBL5188574

SCHEMBL5188574

CC=Cc1ccc(SC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 12/20 0.57
CYP1B1 Q16678 12/20 0.57
CYP1A2 P05177 11/20 0.57
ALDH1A1 P00352 4/20 0.56
FBP1 P09467 1/20 0.53
LMNA P02545 3/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
NPC1 O15118 1/20 0.44

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
SCHEMBL23474551 1.00 CYP1A1 (0.57) CYP1A1CYP1B1CYP1A2ALDH1A1FBP1
SCHEMBL5188569 1.00 CYP1A1 (0.57) CYP1A1CYP1B1CYP1A2ALDH1A1FBP1
SCHEMBL7567897 0.87 CYP1A1 (0.71) CYP1A1CYP1B1CYP1A2ALDH1A1FBP1
SCHEMBL13790333 0.87 CYP1A1 (0.71) CYP1A1CYP1B1CYP1A2ALDH1A1FBP1
SCHEMBL8367958 0.87 CYP1A1 (0.71) CYP1A1CYP1B1CYP1A2ALDH1A1FBP1
SCHEMBL13790243 0.87 CYP1A1 (0.71) CYP1A1CYP1B1CYP1A2ALDH1A1FBP1
SCHEMBL7661993 0.82 CYP3A4 (0.50) CYP1A1CYP1B1CYP1A2ALDH1A1FBP1
SCHEMBL2622608 0.82 CYP1A1 (0.59) CYP1A1CYP1B1CYP1A2ALDH1A1FBP1
SCHEMBL9461723 0.81 CYP3A4 (0.65) ALDH1A1LMNATP53CYP3A4TSHR
SCHEMBL7527708 0.81 CYP3A4 (0.65) ALDH1A1LMNATP53CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572636-B1 ALKYLSULFANYL-BENZENES AS FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2007-07-18 EP claimed
US-20060014664-A1 Alkylsulfanyl- benzenes as fragrance compounds GIVAUDAN SA (CH) 2006-01-19 US claimed
EP-1572636-A1 ALKYLSULFANYL-BENZENES AS FRAGRANCE COMPOUNDS Givaudan SA (CH) 2005-09-14 EP claimed
WO-2004056765-A1 ALKYLSULFANYL-BENZENES AS FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2004-07-08 WO claimed
EP-1572636-B1 ALKYLSULFANYL-BENZENES AS FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2007-07-18 EP disclosed
US-20060014664-A1 Alkylsulfanyl- benzenes as fragrance compounds GIVAUDAN SA (CH) 2006-01-19 US disclosed
EP-1572636-A1 ALKYLSULFANYL-BENZENES AS FRAGRANCE COMPOUNDS Givaudan SA (CH) 2005-09-14 EP disclosed
WO-2004056765-A1 ALKYLSULFANYL-BENZENES AS FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2004-07-08 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 (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-20060014664-A1 Alkylsulfanyl- benzenes as fragrance compounds C1S, TRPA1, CYP2S1 CYP1A1 6/4885CYP1B1 4/4885CYP1A2 60/4885

“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.