SCHEMBL19985846

SCHEMBL19985846

CCOC(=O)CC(c1c(F)cc(CO)cc1F)C(CC)CN

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.32
CYP4A11 Q02928 3/20 0.32
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PRKCA P17252 1/20 0.30
PRKCD Q05655 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
SCHEMBL19985854 0.80 CYP4F2 (0.32) CYP4F2CYP4A11
SCHEMBL19985871 0.79 F2 (0.44) CYP4F2CYP4A11KDM4EALDH1A1HTT
Hydrochloric Acid SCHEMBL19972373 0.70 SMN1; SMN2 (0.37) CYP1A2ALDH1A1HTT
SCHEMBL17185943 0.64 CYP4F2 (0.55) CYP4F2CYP4A11CYP1A2KDM4EALDH1A1
SCHEMBL19972236 0.63 SMN1; SMN2 (0.40) KDM4EALDH1A1HTT
SCHEMBL3499415 0.63 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1
SCHEMBL14492490 0.63 GAA (0.52) CYP1A2KDM4EALDH1A1HTT
SCHEMBL26289285 0.62 CYP1A2 (0.40) CYP1A2KDM4EALDH1A1HTTF2
SCHEMBL7347832 0.62 KDM4E (0.40) CYP1A2KDM4EALDH1A1HTTF2
SCHEMBL20158312 0.62 KDM4E (0.40) CYP1A2KDM4EALDH1A1HTTF2

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-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-22 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-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL FPR2, FPR1, FPR3 CYP4F2 525/4885CYP4A11 1298/4885CYP1A2 420/4885

“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.