SCHEMBL21798744

SCHEMBL21798744

CCC(C)(c1ccc(S)cc1)c1ccc(S)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.34
ESR2 Q92731 4/20 0.34
IDO1 P14902 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL2254504 0.80 NPC1 (0.48) NPC1MAPTRAB9A
SCHEMBL18742977 0.80 ESR1 (0.45) ESR1ESR2IDO1NPC1MAPT
SCHEMBL19200293 0.77 TSHR (0.55) ESR1ESR2IDO1ALDH1A1NPC1
SCHEMBL68287 0.75 ESR1 (0.62) ESR1ESR2ALDH1A1CYP3A4AR
SCHEMBL7045232 0.75 MAPT (0.53) ESR1ESR2ALDH1A1CYP3A4NPC1
SCHEMBL4787209 0.75 MEN1 (0.52) ESR1ESR2
SCHEMBL21189697 0.75
SCHEMBL284909 0.74 TAAR1 (0.48) ESR1ESR2ALDH1A1CYP3A4MAPT
SCHEMBL24041245 0.73 ESR1 (0.33) ESR1ESR2IDO1NPC1MAPT
Methyl Alcohol SCHEMBL28148921 0.73 ESR1 (0.60) ESR1ESR2ALDH1A1CYP3A4AR

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
EP-3626702-B1 CARBONATE DERIVATIVE PRODUCTION METHOD UNIV KOBE NAT UNIV CORP (JP) 2023-02-15 EP disclosed
US-11130728-B2 Carbonate derivative production method NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2021-09-28 US disclosed
EP-3626702-A1 CARBONATE DERIVATIVE PRODUCTION METHOD National University Corporation Kobe University (JP) 2020-03-25 EP disclosed
US-20200079723-A1 CARBONATE DERIVATIVE PRODUCTION METHOD NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2020-03-12 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-20200079723-A1 CARBONATE DERIVATIVE PRODUCTION METHOD CA4, CA14, CA3 ESR1 2049/4885ESR2 1968/4885IDO1 1164/4885
US-11130728-B2 Carbonate derivative production method CA4, CA14, CA3 ESR1 2049/4885ESR2 1968/4885IDO1 1164/4885

“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.