SCHEMBL13626382

SCHEMBL13626382

CCCC1(C(O)c2ccc(N3C(=O)CC[C@H]3C)cc2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 17/20 0.42
PTGER3 P43115 10/20 0.42
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
PTGER4 P35408 2/20 0.37
PTGDR Q13258 4/20 0.35
PTGER1 P34995 1/20 0.35
PER2 O15055 2/20 0.34

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
SCHEMBL13695429 0.78 PTGER2 (0.36) PTGER2PTGER3CDK2
SCHEMBL13385596 0.77 PTGER2 (0.56) PTGER2PTGER3PTGER4PTGDRPTGER1
SCHEMBL13626386 0.75 PTGER2 (0.59) PTGER2PTGER3CCNA2CDK2CCNA1
SCHEMBL22352609 0.75 PTGER2 (0.59) PTGER2PTGER3CCNA2CDK2CCNA1
SCHEMBL13626389 0.74 CCNA2 (0.45) PTGER2PTGER3CCNA2CDK2CCNA1
SCHEMBL13626387 0.72 DHODH (0.47) PTGER2PTGER3CCNA2CDK2CCNA1
SCHEMBL10021107 0.72 PTGER2 (0.41) PTGER2PTGER3
SCHEMBL9892974 0.72 L3MBTL1 (0.53) CCNA2CDK2CCNA1
SCHEMBL13232169 0.72 PTGER2 (0.41) PTGER2PTGER3
SCHEMBL13626391 0.71 ABL1 (0.39) CCNA2CDK2CCNA1

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-20090286787-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-11-19 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-20090286787-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS GLA, GUSB, GANAB PTGER2 3210/4885PTGER3 2745/4885CCNA2 1927/4885

“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.