SCHEMBL19007873

SCHEMBL19007873

C=C(C)C(=O)OCCOc1cc(CCCO)cc(OCCOC(=O)C(=C)C)c1-c1ccc(C2CCC(CCCCC)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 3/20 0.35
SPHK1 Q9NYA1 5/20 0.35
TSHR P16473 2/20 0.34
CYP2C9 P11712 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
OPRM1 P35372 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PPARG P37231 1/20 0.32
DGAT1 O75907 1/20 0.32
SOAT1 P35610 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
SCHEMBL19797113 0.94 SPHK1 (0.37) SPHK1TSHRCYP2C9CA1CA2
SCHEMBL19796931 0.93 SPHK1 (0.35) ACE2SPHK1TSHRCA1CA2
SCHEMBL19796810 0.92 SPHK1 (0.37) ACE2SPHK1TSHRCYP2C9CA1
SCHEMBL19796827 0.89 P2RY14 (0.33) ACE2SPHK1TSHRCYP2C9CA1
SCHEMBL19797085 0.88 SPHK1 (0.38) SPHK1TSHRCYP2C9
SCHEMBL19797111 0.88 SPHK1 (0.38) SPHK1TSHRCYP2C9
SCHEMBL19796801 0.87 SPHK1 (0.35) ACE2SPHK1TSHRCYP2C9RAB9A
SCHEMBL19007871 0.87 CA1 (0.35) SPHK1TSHRCYP2C9CA1CA2
SCHEMBL19804621 0.87 FFAR4 (0.38) CYP2C9CA1CA2PPARG
SCHEMBL19796609 0.86 CNR2 (0.38) TSHRCYP2C9CA1CA2RAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689576-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2020-06-23 US disclosed
US-10385269-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-08-20 US disclosed
US-20180208849-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-07-26 US disclosed
US-20180208849-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-07-26 US disclosed
EP-3327101-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2018-05-30 EP disclosed
US-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-25 US disclosed
US-20170174993-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-06-22 US disclosed
US-20170174993-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-06-22 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 ACE2 3434/4885SPHK1 608/4885TSHR 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.