SCHEMBL21189655

SCHEMBL21189655

CC(c1ccccc1)(c1ccc(S)cc1)c1ccc(S)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.60
ESR2 Q92731 3/20 0.60
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.42
CYP19A1 P11511 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2B6 P20813 1/20 0.39
KCNN4 O15554 3/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 2/20 0.36
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL21189662 0.89 ESR1 (0.44) ESR1ESR2CYP3A4CYP19A1KMT2A
SCHEMBL21189659 0.89 ESR1 (0.48) ESR1ESR2ALDH1A1CYP3A4MAPK1
SCHEMBL5887915 0.87 ESR1 (0.75) ESR1ESR2ALDH1A1CYP3A4MAPK1
SCHEMBL16046945 0.85 ESR1 (0.60) ESR1ESR2ALDH1A1CYP3A4MAPK1
SCHEMBL8335012 0.84 ESR1 (0.70) ESR1ESR2ALDH1A1CYP3A4MAPK1
SCHEMBL430941 0.84 ESR1 (0.70) ESR1ESR2ALDH1A1CYP3A4MAPK1
SCHEMBL22737750 0.82 ESR1 (0.42) ESR1ESR2ALDH1A1MAPTKMT2A
SCHEMBL11519002 0.81 ESR1 (0.67) ESR1ESR2ALDH1A1CYP3A4MAPK1
Hydrochloric Acid SCHEMBL16859717 0.81 ESR1 (0.67) ESR1ESR2ALDH1A1CYP3A4MAPK1
SCHEMBL22991636 0.80 ESR1 (0.44) ESR1ESR2ALDH1A1CYP3A4MAPT

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 7 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
US-20210047457-A1 COMPOUND, RESIN, COMPOSITION AND PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-02-18 US disclosed
EP-3744710-A1 COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-12-02 EP 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
WO-2019142897-A1 COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD 三菱瓦斯化学株式会社 2019-07-25 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-20200079723-A1 CARBONATE DERIVATIVE PRODUCTION METHOD CA4, CA14, CA3 ESR1 2049/4885ESR2 1968/4885ALDH1A1 2606/4885
US-11130728-B2 Carbonate derivative production method CA4, CA14, CA3 ESR1 2049/4885ESR2 1968/4885ALDH1A1 2606/4885

“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.