SCHEMBL21778322

SCHEMBL21778322

OCC/N=C/c1cc(Cl)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
GAA P10253 1/20 0.66
TAAR1 Q96RJ0 1/20 0.66
CA12 O43570 5/20 0.57
CA2 P00918 5/20 0.57
CA9 Q16790 4/20 0.57
CA1 P00915 1/20 0.57
KDM4E B2RXH2 3/20 0.50
ERN1 O75460 1/20 0.50
CASP1 P29466 2/20 0.46
HSD17B10 Q99714 1/20 0.46
GUSB P08236 1/20 0.46
CASP7 P55210 1/20 0.44
KDM1A O60341 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 1/20 0.43
PABPC1 P11940 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL4345738 0.91 ALDH1A1 (0.71) ALDH1A1GAATAAR1CA12CA2
SCHEMBL4345732 0.91 ALDH1A1 (0.71) ALDH1A1GAATAAR1CA12CA2
SCHEMBL19891621 0.88 ALDH1A1 (0.68) ALDH1A1GAATAAR1CA12CA2
SCHEMBL14353756 0.86 ALDH1A1 (0.66) ALDH1A1GAATAAR1CA12CA2
SCHEMBL14353757 0.86 ALDH1A1 (0.66) ALDH1A1GAATAAR1CA12CA2
SCHEMBL23863724 0.85 ALDH1A1 (0.64) ALDH1A1GAATAAR1CA12CA2
SCHEMBL27914660 0.85 ALDH1A1 (0.64) ALDH1A1GAATAAR1CA12CA2
SCHEMBL5377841 0.82 CA2 (0.48) ALDH1A1GAATAAR1CA12CA2
SCHEMBL5710822 0.82 CA2 (0.48) ALDH1A1GAATAAR1CA12CA2
SCHEMBL29236478 0.82 ALDH1A1 (0.61) ALDH1A1GAATAAR1CA12CA2

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-4144723-A1 METHOD FOR PRODUCING MONOSULFOXIDE DERIVATIVE Kumiai Chemical Industry Co., Ltd. (JP) 2023-03-08 EP disclosed
CN-115461324-A Process for producing monosulfoxide derivative 组合化学工业株式会社 2022-12-09 CN disclosed
EP-3424903-B1 METHOD FOR PRODUCING SULFOXIDE DERIVATIVE KUMIAI CHEMICAL INDUSTRY CO (JP) 2021-09-29 EP disclosed
US-10577313-B2 Method for producing sulfoxide derivative KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2020-03-03 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 (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-10577313-B2 Method for producing sulfoxide derivative TST, SQOR, SDHB ALDH1A1 162/4885GAA 1048/4885TAAR1 2578/4885

“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.