SCHEMBL19985871

SCHEMBL19985871

CCOC(=O)CC(c1ccc(CO)cc1)C(CC)CN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.44
F10 P00742 4/20 0.44
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
CYP4F2 P78329 4/20 0.38
CYP4A11 Q02928 4/20 0.38
PRSS1 P07477 1/20 0.38
ESR1 P03372 1/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.34
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 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
SCHEMBL19985846 0.79 CYP4F2 (0.32) F2F10KDM4EALDH1A1HTT
SCHEMBL19985864 0.78 F2 (0.41) F2F10KDM4EALDH1A1HTT
SCHEMBL5067694 0.76 CYP4F2 (0.45) F2F10KDM4EALDH1A1HTT
SCHEMBL5067689 0.76 CYP4F2 (0.45) F2F10KDM4EALDH1A1HTT
SCHEMBL5067688 0.76 CYP4F2 (0.45) F2F10KDM4EALDH1A1HTT
SCHEMBL27517465 0.72 F2 (0.47) F2F10KDM4EALDH1A1HTT
SCHEMBL28159781 0.70 FFAR1 (0.49) ESR1
SCHEMBL17673092 0.70 FFAR1 (0.49) ESR1
SCHEMBL26665179 0.69 F2 (0.60) F2F10KDM4EALDH1A1HTT
SCHEMBL6207253 0.68 CYP4Z1 (0.55) KDM4EALDH1A1HTTCYP4F2CYP4A11

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 F2 138/4885F10 1086/4885KDM4E 4525/4885

“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.