SCHEMBL19796552

SCHEMBL19796552

C=C(C)C(=O)OCCCc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2F)ccc1CCO

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
FASN P49327 1/20 0.33
RARB P10826 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
APP P05067 2/20 0.31
PPARD Q03181 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
FAAH O00519 1/20 0.30
PTGS2 P35354 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
SCHEMBL19796994 0.98 TSHR (0.32) TSHRCYP3A4CYP2C9FASNRARB
SCHEMBL19796602 0.97 TSHR (0.33) TSHRCYP3A4CYP2C9FASNRARB
SCHEMBL19796515 0.94 TSHR (0.34) TSHRCYP3A4CYP2C9FASNRARB
SCHEMBL21565418 0.94 TSHR (0.34) TSHRCYP3A4CYP2C9FASNRARB
SCHEMBL19796770 0.93 FASN (0.34) CYP3A4CYP2C9FASNRARBFFAR4
SCHEMBL22926389 0.92 TSHR (0.33) TSHRCYP3A4CYP2C9FASNRARB
SCHEMBL19796537 0.92 FFAR4 (0.36) CYP3A4CYP2C9FASNRARBFFAR4
SCHEMBL19796986 0.92 CYP2C9 (0.34) TSHRCYP3A4CYP2C9RARBFFAR4
SCHEMBL19796639 0.91 PPARD (0.38) TSHRCYP3A4CYP2C9FASNRARB
SCHEMBL19796587 0.90 CYP3A4 (0.34) TSHRCYP3A4CYP2C9FASNRARB

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 TSHR 4195/4885CYP3A4 2192/4885CYP2C9 4202/4885

“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.