SCHEMBL17708372

SCHEMBL17708372

Cc1ccc(OCCO)c(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
AR P10275 3/20 0.46
XDH P47989 3/20 0.44
S1PR1 P21453 1/20 0.43
PDE4B Q07343 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL17708383 0.92 ALDH1A1 (0.49) ALDH1A1HPGDARXDHS1PR1
SCHEMBL12180531 0.85 ALDH1A1 (0.51) ALDH1A1HPGDARXDHS1PR1
SCHEMBL15337643 0.83 AR (0.47) ALDH1A1HPGDAR
SCHEMBL14228267 0.83 ALDH1A1 (0.57) ALDH1A1HPGDARXDH
SCHEMBL4694901 0.81 AR (0.57) ALDH1A1HPGDARXDH
SCHEMBL12433115 0.81 ALDH1A1 (0.66) ALDH1A1HPGDAR
SCHEMBL17708071 0.80 XDH (0.47) ALDH1A1HPGDARXDHS1PR1
SCHEMBL15337378 0.80 AR (0.50) ALDH1A1HPGDAR
SCHEMBL12180520 0.78 AR (0.49) ALDH1A1HPGDARXDH
SCHEMBL20195705 0.78 XDH (0.47) ALDH1A1HPGDARXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682976-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
US-20160257681-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2016-09-08 US disclosed
US-9321763-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2016-04-26 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-20160257681-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB ALDH1A1 4361/4885HPGD 1581/4885AR 4567/4885

“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.