SCHEMBL4894873

SCHEMBL4894873

Cc1cc(C(=O)N2CCCC2C(=O)O)no1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
GRM5 P41594 2/20 0.47
TSHR P16473 1/20 0.47
CHRNA4 P43681 1/20 0.46
SCD5 Q86SK9 3/20 0.45
SCD O00767 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.45
S1PR3 Q99500 1/20 0.45

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
SCHEMBL4894867 1.00 ALDH1A1 (0.49) ALDH1A1GRM5TSHRCHRNA4SCD5
SCHEMBL17327488 0.80 ALDH1A1 (0.48) ALDH1A1TSHRCHRNA4HPGDKMT2A
SCHEMBL3094697 0.79 NPC1 (0.53) ALDH1A1
SCHEMBL10232967 0.78 CHRNA4 (0.44) GRM5CHRNA4SCD5KMT2AGAA
SCHEMBL3337107 0.76 CHRNA4 (0.48) GRM5CHRNA4SCD5SCDKMT2A
SCHEMBL4892496 0.76 ALDH1A1 (0.53) ALDH1A1
SCHEMBL4892492 0.76 ALDH1A1 (0.53) ALDH1A1
SCHEMBL3339919 0.76 CHRNA4 (0.44) GRM5CHRNA4SCD5SCDKMT2A
SCHEMBL3330947 0.76 CHRNA4 (0.60) GRM5CHRNA4SCD5SCDKMT2A
SCHEMBL18135148 0.76 SCD5 (0.67) GRM5SCD5SCD

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-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 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-20080200512-A1 Hepatitis C virus polymerase inhibitors SSU72, POLR2H, POLR2E ALDH1A1 276/4885GRM5 3835/4885TSHR 2909/4885

“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.