SCHEMBL19796801

SCHEMBL19796801

C=C(C)C(=O)OCCOc1cc(CCO)ccc1-c1ccc(C2CCC(CCCCC)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.35
FFAR4 Q5NUL3 1/20 0.35
TSHR P16473 2/20 0.34
CYP2C9 P11712 2/20 0.34
PPARG P37231 6/20 0.34
PPARA Q07869 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
S1PR3 Q99500 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL19796810 0.96 SPHK1 (0.37) SPHK1FFAR4TSHRCYP2C9PPARG
SCHEMBL19796871 0.95 SPHK1 (0.35) SPHK1FFAR4TSHRCYP2C9PPARG
SCHEMBL19796790 0.94 TSHR (0.35) SPHK1FFAR4TSHRCYP2C9PPARG
SCHEMBL19797111 0.91 SPHK1 (0.38) SPHK1FFAR4TSHRCYP2C9
SCHEMBL19797085 0.91 SPHK1 (0.38) SPHK1FFAR4TSHRCYP2C9
SCHEMBL19797078 0.91 FFAR4 (0.34) SPHK1FFAR4TSHRCYP2C9PPARG
SCHEMBL19796800 0.90 SPHK1 (0.38) SPHK1FFAR4CYP2C9CYP3A4CYP2C8
SCHEMBL19796791 0.90 FFAR4 (0.36) SPHK1FFAR4TSHRCYP2C9CYP3A4
SCHEMBL19796819 0.90 RAB9A (0.39) FFAR4TSHRCYP2C9PPARGPPARA
SCHEMBL19797064 0.89 FFAR4 (0.35) SPHK1FFAR4CYP2C9PPARGCYP3A4

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 SPHK1 608/4885FFAR4 1715/4885TSHR 4195/4885

“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.