SCHEMBL19174484

SCHEMBL19174484

CS(C)(CN)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 1/20 0.42
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ PLA2G7 Q13093 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA13 Q8N1Q1 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ HTR6 P50406 3/20 0.38
▸ LOXL2 Q9Y4K0 3/20 0.38
▸ TAAR1 Q96RJ0 6/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ CYP2A6 P11509 1/20 0.35

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
SCHEMBL19561677 0.76 PSIP1 (0.56) PSIP1CA12CA1CA2CA3
SCHEMBL20388830 0.74 PSIP1 (0.42) PSIP1CA12CA1CA2CA3
SCHEMBL21186465 0.74 PSIP1 (0.42) PSIP1CA12CA1CA2CA3
SCHEMBL21656681 0.74 PSIP1 (0.42) PSIP1CA12CA1CA2CA3
SCHEMBL27845106 0.72 CA12 (0.43) PSIP1CA12CA1CA2CA3
SCHEMBL20393067 0.72 KIF11 (0.37) PSIP1CA12CA6CA7CA9
SCHEMBL13990531 0.72 CA1 (0.44) PSIP1CA1CA2CA5ACA9
SCHEMBL21186462 0.72 PSIP1 (0.46) PSIP1HTR6SMN1; SMN2TDP1
SCHEMBL21186486 0.70 PSIP1 (0.39) PSIP1HTR6TAAR1ALDH1A1TDP1
SCHEMBL21186463 0.70 PSIP1 (0.39) PSIP1HTR6TAAR1SMN1; SMN2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210765-A1 PROCESS FOR PREPARING ALPHA-SILYLAMINE COMPOUNDS FROM ALPHA-SILYLMETHYL AZIDE COMPOUNDS POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-07-27 — — US disclosed
CN-102385192-B The manufacture method of cholesteric lcd display, cholesteric lcd display and aligning agent for liquid crystal JSR CO., LTD. (JP) 2016-02-10 — — CN disclosed
CN-102337140-B Liquid crystal aligning agent for retardation film, liquid crystal alignment film for retardation film, and retardation film and process for production thereof JSR CORP 2015-04-01 — — CN disclosed
CN-102385192-A Cholesteric liquid crystal display manufacturing method, cholesteric liquid crystal display and liquid crystal aligning agent JSR CORP 2012-03-21 — — CN disclosed
CN-102337140-A Liquid crystal aligning agent for retardation film, liquid crystal alignment film for retardation film, and retardation film and process for production thereof JSR CORP 2012-02-01 — — CN 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-20170210765-A1 PROCESS FOR PREPARING ALPHA-SILYLAMINE COMPOUNDS FROM ALPHA-SILYLMETHYL AZIDE COMPOUNDS ITGAL, MANBA, ITGA1 PSIP1 2757/4885CA12 2711/4885CA1 1301/4885

“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.

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