SCHEMBL21189688

SCHEMBL21189688

Sc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(S)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
CYP3A4 P08684 1/20 0.36
IDO1 P14902 1/20 0.35
MAPK1 P28482 1/20 0.35
KIF11 P52732 1/20 0.33
CYP1A2 P05177 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALOX15 P16050 1/20 0.32
PTPN1 P18031 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL9846771 0.85 KCNN4 (0.50) KCNN4ALDH1A1TSHRESR1ESR2
SCHEMBL230628 0.82 KCNN4 (0.53) KCNN4ALDH1A1TSHRESR1ESR2
SCHEMBL10766694 0.81 ALDH1A1 (0.38) KCNN4ALDH1A1TSHRESR1ESR2
SCHEMBL19523009 0.79 TSHR (0.48) KCNN4ALDH1A1TSHRESR1ESR2
SCHEMBL21189655 0.79 ESR1 (0.60) KCNN4ALDH1A1TSHRESR1ESR2
SCHEMBL16046945 0.79 ESR1 (0.60) ALDH1A1TSHRESR1ESR2CYP3A4
SCHEMBL29554666 0.78 KCNN4 (0.50) KCNN4ALDH1A1TSHRESR1ESR2
Hydrochloric Acid SCHEMBL30101973 0.78 KCNN4 (0.50) KCNN4ALDH1A1TSHRESR1ESR2
Bromide SCHEMBL31591135 0.78 KCNN4 (0.50) KCNN4ALDH1A1TSHRESR1ESR2
SCHEMBL11822974 0.77 KIF11 (0.55) KCNN4ALDH1A1TSHRESR1ESR2

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 9 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
CN-110637006-B Process for producing carbonate derivative 国立大学法人神户大学 2022-05-24 CN 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
CN-110637006-A Process for producing carbonate derivative 国立大学法人神户大学 2019-12-31 CN 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 KCNN4 49/4885ALDH1A1 2606/4885TSHR 835/4885
US-11130728-B2 Carbonate derivative production method CA4, CA14, CA3 KCNN4 49/4885ALDH1A1 2606/4885TSHR 835/4885

“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.