SCHEMBL19797016

SCHEMBL19797016

C=C(C)C(=O)Oc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)cc2CC)ccc1OCCO

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.35
RARB P10826 6/20 0.35
RARG P13631 6/20 0.35
DGAT1 O75907 2/20 0.33
SOAT1 P35610 1/20 0.33
CYP2C9 P11712 1/20 0.33
MCHR1 Q99705 1/20 0.33
PTPN11 Q06124 3/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PPARD Q03181 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
P2RY14 Q15391 1/20 0.32
PPARG P37231 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN6 P29350 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
SCHEMBL19796747 0.95 PTPN11 (0.32) RARARARBRARGDGAT1SOAT1
SCHEMBL19797014 0.93 RARA (0.34) RARARARBRARGDGAT1SOAT1
SCHEMBL19796984 0.89 CYP2C9 (0.34) DGAT1SOAT1CYP2C9ALDH1A1LMNA
SCHEMBL19796648 0.88 FPR2 (0.34) DGAT1SOAT1MCHR1PTPN11RAB9A
SCHEMBL19796653 0.88 CYP2C9 (0.36) RARBDGAT1SOAT1CYP2C9MCHR1
SCHEMBL19801720 0.87 RARA (0.39) RARARARBRARGCYP2C9MCHR1
SCHEMBL19797003 0.87 CNR2 (0.34) RARARARBRARGCYP2C9RAB9A
SCHEMBL19796983 0.86 FFAR4 (0.34) RARARARBRARGDGAT1CYP2C9
SCHEMBL19796651 0.85 FPR2 (0.36) DGAT1SOAT1CYP2C9MCHR1PTPN11
SCHEMBL19796632 0.85 PPARG (0.33) RARARARBRARGPPARDFFAR4

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 RARA 3585/4885RARB 3517/4885RARG 3736/4885

“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.