SCHEMBL19804336

SCHEMBL19804336

C=C(C)C(=O)Oc1cc(-c2ccc(-c3ccc(C4CCCCC4)cc3)cc2F)ccc1CCO

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
CYP2C9 P11712 2/20 0.48
APP P05067 3/20 0.46
FFAR4 Q5NUL3 2/20 0.40
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
S1PR1 P21453 6/20 0.33
S1PR5 Q9H228 5/20 0.33
S1PR3 Q99500 3/20 0.33
GCGR P47871 1/20 0.32
DHODH Q02127 1/20 0.32
FAAH O00519 3/20 0.31
S1PR4 O95977 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL19804746 0.95 CYP3A4 (0.47) CYP3A4CYP2C9APPFFAR4CYP2D6
SCHEMBL19624574 0.92 CYP3A4 (0.39) CYP3A4CYP2C9APPFFAR4CYP2D6
SCHEMBL19804329 0.91 CYP3A4 (0.39) CYP3A4CYP2C9APPFFAR4PTGDR
SCHEMBL19804691 0.90 CYP3A4 (0.45) CYP3A4CYP2C9APPFFAR4CYP2D6
SCHEMBL19804626 0.86 CYP3A4 (0.44) CYP3A4CYP2C9APPFFAR4CYP2D6
SCHEMBL19796998 0.86 CYP2C9 (0.37) CYP3A4CYP2C9APPFFAR4CYP2D6
SCHEMBL19804739 0.85 CYP3A4 (0.44) CYP3A4CYP2C9APPFFAR4CYP2D6
SCHEMBL19804363 0.85 FFAR4 (0.38) CYP3A4CYP2C9APPFFAR4PTGDR
SCHEMBL19804768 0.85 CYP3A4 (0.48) CYP3A4CYP2C9APPFFAR4CYP2D6
SCHEMBL19804045 0.85 CYP3A4 (0.44) CYP3A4CYP2C9APPFFAR4CYP2D6

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-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-25 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-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, C1S, AP3D1 CYP3A4 2192/4885CYP2C9 4202/4885APP 325/4885

“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.