SCHEMBL13664238

SCHEMBL13664238

CCOC(=O)C(O)=C(C#N)C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
TSHR P16473 1/20 0.55
CYP2C9 P11712 1/20 0.47
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 3/20 0.46
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
GLO1 Q04760 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTP4A1 Q93096 1/20 0.37
MIF P14174 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL13237294 0.81 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C9MAPTKMT2A
SCHEMBL14019201 0.81 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C9MAPTKMT2A
SCHEMBL16043759 0.81 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C9MAPTKMT2A
SCHEMBL15055595 0.81 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C9MAPTKMT2A
SCHEMBL14776464 0.80 ALDH1A1 (0.57) ALDH1A1TSHRCYP2C9MAPTKMT2A
SCHEMBL24014841 0.79 ALDH1A1 (0.52) ALDH1A1TSHRCYP2C9MAPTKMT2A
SCHEMBL16534922 0.79 ALDH1A1 (0.52) ALDH1A1TSHRCYP2C9MAPTKMT2A
SCHEMBL9978312 0.78 ALDH1A1 (0.55) ALDH1A1TSHRCYP2C9MAPTKMT2A
SCHEMBL5496037 0.78 ALDH1A1 (0.53) ALDH1A1TSHRMAPTKMT2AMEN1
SCHEMBL14809891 0.78 ALDH1A1 (0.50) ALDH1A1TSHRCYP2C9MAPTKMT2A

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-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-08 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-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists GIPR, GPR119, GLP1R ALDH1A1 3415/4885TSHR 70/4885CYP2C9 2168/4885

“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.