SCHEMBL19796529

SCHEMBL19796529

C=C(C)C(=O)Oc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2)ccc1CO

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
DGAT1 O75907 6/20 0.35
SOAT1 P35610 1/20 0.34
P2RY14 Q15391 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 1/20 0.33
ESR2 Q92731 1/20 0.33
SPHK1 Q9NYA1 2/20 0.31
GAA P10253 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL19796984 0.94 CYP2C9 (0.34) CYP2C9MAPTALDH1A1LMNADGAT1
SCHEMBL19796568 0.92 CYP2C9 (0.37) CYP2C9MAPTALDH1A1LMNADGAT1
SCHEMBL19796613 0.92 CYP2C9 (0.36) CYP2C9MAPTALDH1A1LMNADGAT1
SCHEMBL19007881 0.89 CNR2 (0.35) CYP2C9MAPTALDH1A1LMNADGAT1
SCHEMBL19796990 0.87 CNR2 (0.34) CYP2C9MAPTALDH1A1LMNADGAT1
SCHEMBL19796490 0.87 CYP2C9 (0.37) CYP2C9MAPTALDH1A1LMNADGAT1
SCHEMBL19796998 0.85 CYP2C9 (0.37) CYP2C9MAPTALDH1A1LMNADGAT1
SCHEMBL19796506 0.85 TSHR (0.36) CYP2C9MAPTALDH1A1LMNADGAT1
SCHEMBL19797005 0.85 CYP2C9 (0.37) CYP2C9MAPTALDH1A1LMNADGAT1
SCHEMBL19796799 0.84 CYP2C9 (0.38) CYP2C9MAPTALDH1A1LMNADGAT1

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 2308/4885ALDH1A1 2472/4885

“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.