SCHEMBL19985864

SCHEMBL19985864

CCOC(=O)CC(c1ccc(CO)cc1)C(C#N)CC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.41
F10 P00742 4/20 0.41
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
PRSS1 P07477 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 1/20 0.35
HIF1A Q16665 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 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
SCHEMBL19985854 0.79 CYP4F2 (0.32) CYP4F2CYP4A11MAPT
SCHEMBL19985871 0.78 F2 (0.44) F2F10CYP4F2CYP4A11KDM4E
SCHEMBL5067688 0.75 CYP4F2 (0.45) F2F10CYP4F2CYP4A11KDM4E
SCHEMBL5067694 0.75 CYP4F2 (0.45) F2F10CYP4F2CYP4A11KDM4E
SCHEMBL5067689 0.75 CYP4F2 (0.45) F2F10CYP4F2CYP4A11KDM4E
SCHEMBL17673092 0.72 FFAR1 (0.49) ESR1ESR2
SCHEMBL28159781 0.72 FFAR1 (0.49) ESR1ESR2
SCHEMBL11157075 0.70 TSHR (0.45) F2F10ALDH1A1ESR1ESR2
SCHEMBL6576846 0.70 SMN1; SMN2 (0.44) F2F10KDM4EALDH1A1HTT
SCHEMBL7247968 0.69 SMN1; SMN2 (0.54) F2F10ALDH1A1SMN1; SMN2TDP1

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 1086/4885CYP4F2 525/4885

“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.