SCHEMBL17708376

SCHEMBL17708376

Cc1ccc(OCC(O)CO)c(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 2/20 0.49
KDM4E B2RXH2 1/20 0.49
AGTR1 P30556 1/20 0.45
LMNA P02545 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
MAOA P21397 1/20 0.45
HTR2B P41595 1/20 0.45
VDR P11473 7/20 0.43
AR P10275 4/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL15337448 0.85 XDH (0.45) ALDH1A1
SCHEMBL19836420 0.83 ACHE (0.46) ALDH1A1CYP1A2KDM4EAGTR1LMNA
SCHEMBL17708086 0.82 VDR (0.49) CYP1A2KDM4EAGTR1LMNAHTR1A
SCHEMBL13182575 0.81 XDH (0.53)
SCHEMBL11497507 0.80 CYP1A2 (0.65) CYP1A2KDM4EAGTR1LMNAVDR
SCHEMBL19836422 0.79 SLC6A2 (0.46) ALDH1A1CYP1A2KDM4EAGTR1LMNA
SCHEMBL14934293 0.78 CYP1A2 (0.54) CYP1A2KDM4EAGTR1LMNAVDR
SCHEMBL11454087 0.78 HTR1A (0.63) ALDH1A1CYP1A2KDM4EAGTR1LMNA
SCHEMBL17708372 0.78 ALDH1A1 (0.47) ALDH1A1AR
SCHEMBL12180774 0.77 CYP1A2 (0.66) ALDH1A1CYP1A2KDM4EAGTR1LMNA

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 4361/4885CYP1A2 4423/4885KDM4E 2813/4885

“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.