SCHEMBL13634258

SCHEMBL13634258

CCCP(=O)(Cc1c(F)cccc1F)OCC

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 15/20 0.38
CDK9 P50750 15/20 0.38
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL13623959 0.81 ALDH1A1 (0.33) KDM4EALDH1A1NPSR1KCNH2
SCHEMBL577888 0.80 TSHR (0.40) KDM4EALDH1A1NPSR1KCNH2
SCHEMBL13998879 0.70 CCNT1 (0.43) CCNT1CDK9
SCHEMBL24922409 0.70 RAB9A (0.38) CCNT1CDK9KDM4EALDH1A1
SCHEMBL575444 0.70 TSHR (0.50)
SCHEMBL577670 0.68 MEN1 (0.42) KDM4EALDH1A1NPSR1KCNH2
SCHEMBL23119310 0.68 STIM1 (0.37) KDM4EALDH1A1KCNH2
SCHEMBL5484510 0.66 TSHR (0.48)
SCHEMBL5795783 0.66 RIPK1 (0.38) KDM4EALDH1A1NPSR1KCNH2
SCHEMBL8347665 0.66 CETP (0.49) NPSR1

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-20090291921-A1 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-11-26 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-20090291921-A1 INTEGRASE INHIBITORS TYMP, DNTT, PAICS CCNT1 407/4885CDK9 27/4885KDM4E 1971/4885

“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.