SCHEMBL19796593

SCHEMBL19796593

C=C(C)C(=O)OCc1cc(C2CCC(C3CCC(CCCCC)CC3)CC2)ccc1CCCO

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
MAPT P10636 2/20 0.33
ESR2 Q92731 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CNR2 P34972 10/20 0.32
CNR1 P21554 6/20 0.32
TSHR P16473 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SPHK1 Q9NYA1 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
SCHEMBL19796539 0.95 CYP2C9 (0.34) CYP2C9MAPTESR2ALDH1A1LMNA
SCHEMBL19796601 0.92 TSHR (0.38) CYP2C9MAPTESR2ALDH1A1LMNA
SCHEMBL19796591 0.92 TSHR (0.36) CYP2C9MAPTESR2ALDH1A1LMNA
SCHEMBL19796504 0.92 CYP2C9 (0.35) CYP2C9MAPTESR2ALDH1A1LMNA
SCHEMBL19796229 0.92 CYP2C9 (0.41) CYP2C9MAPTESR2ALDH1A1LMNA
SCHEMBL19797762 0.90 CYP2C9 (0.35) CYP2C9MAPTESR2ALDH1A1LMNA
SCHEMBL19796706 0.90 FFAR4 (0.34) CYP2C9MAPTALDH1A1LMNACNR2
SCHEMBL19796991 0.88 FFAR4 (0.34) CYP2C9
SCHEMBL19796550 0.88 TSHR (0.38) CYP2C9MAPTESR2ALDH1A1LMNA
SCHEMBL19796577 0.87 FFAR4 (0.33) CYP2C9CNR2CNR1CA1CA2

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 CYP2C9 4202/4885MAPT 2308/4885ESR2 2556/4885

“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.