SCHEMBL419110

SCHEMBL419110

C=CCCC(O)COCC=C

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.61
CA2 P00918 5/20 0.61
CA7 P43166 4/20 0.61
CA9 Q16790 4/20 0.42
CA4 P22748 3/20 0.38
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2D6 P10635 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL5606937 0.89 CA1 (0.45) CA1CA2CA7USP2ALDH1A1
SCHEMBL497334 0.84 CA1 (0.74) CA1CA2CA7CA9CA4
SCHEMBL28352995 0.83 CA1 (0.61) CA1CA2CA7CA9CA4
SCHEMBL10532306 0.83 CA1 (0.61) CA1CA2CA7CA9CA4
SCHEMBL7160070 0.81 CA1 (0.71) CA1CA2CA7CA9CA4
SCHEMBL12909793 0.81 CA1 (0.71) CA1CA2CA7CA9CA4
SCHEMBL9839094 0.81 CA1 (0.59) CA1CA2CA7CA9CA4
SCHEMBL28165538 0.81 CA1 (0.59) CA1CA2CA7CA9CA4
SCHEMBL31243387 0.79 HSD17B10 (0.43) CA1CA2CA7USP2ALDH1A1
SCHEMBL272732 0.78 CA1 (0.55) CA1CA2CA7CA9CA4

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-20120022045-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS VENKATRAMAN SHANKAR (US) 2012-01-26 US disclosed
EP-2391212-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2011-12-07 EP disclosed
WO-2010088167-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-08-05 WO 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-20120022045-A1 BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS CCND3, CDK3, CDK2 CA1 4103/4885CA2 3062/4885CA7 3956/4885

“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.