SCHEMBL14239237

SCHEMBL14239237

C=C1OB(c2ccc(C#N)c(OC)c2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
PGR P06401 1/20 0.36
IMPDH2 P12268 3/20 0.33
CHEK1 O14757 1/20 0.33
IMPDH1 P20839 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL13100187 0.85
SCHEMBL14239303 0.83 TRPV4 (0.38) AR
SCHEMBL12122742 0.82 TRPV4 (0.37) PGR
SCHEMBL3481500 0.81 XDH (0.37)
SCHEMBL12513170 0.81 ALDH1A1 (0.41) ALDH1A1CHEK1
SCHEMBL421663 0.81 AR (0.43) ARALDH1A1KDM4EUSP2PGR
SCHEMBL12144946 0.80 MAOB (0.40) ARALDH1A1MAOB
SCHEMBL14711735 0.79 PGR (0.38) ARPGR
SCHEMBL13675126 0.75 CYP2A6 (0.34) ALDH1A1
SCHEMBL10081565 0.74 ALDH1A1 (0.42) ARALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-12-13 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-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 AR 123/4885ALDH1A1 179/4885KDM4E 1096/4885

“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.