SCHEMBL19007871

SCHEMBL19007871

C=C(C)C(=O)OCCOc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2)cc(OCCOC(=O)C(=C)C)c1CCCO

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
TSHR P16473 3/20 0.34
CYP2C9 P11712 1/20 0.34
DGAT1 O75907 4/20 0.34
SOAT1 P35610 1/20 0.34
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
RARB P10826 1/20 0.32
SPHK1 Q9NYA1 2/20 0.32
P2RY14 Q15391 1/20 0.32
ESR2 Q92731 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
SCHEMBL19797075 0.92 CA1 (0.32) CA1CA2TSHRCYP2C9DGAT1
SCHEMBL19796397 0.91 TSHR (0.38) CA1CA2TSHRCYP2C9RAB9A
SCHEMBL19796609 0.91 CNR2 (0.38) CA1CA2TSHRCYP2C9DGAT1
SCHEMBL19797113 0.90 SPHK1 (0.37) CA1CA2TSHRCYP2C9SPHK1
SCHEMBL19796651 0.90 FPR2 (0.36) CA1CA2TSHRCYP2C9DGAT1
SCHEMBL19797085 0.89 SPHK1 (0.38) TSHRCYP2C9SPHK1
SCHEMBL19797111 0.89 SPHK1 (0.38) TSHRCYP2C9SPHK1
SCHEMBL19796861 0.89 CA1 (0.33) CA1CA2TSHRCYP2C9DGAT1
SCHEMBL19796851 0.89 TSHR (0.36) CA1CA2TSHRMAPTCNR1
SCHEMBL19796585 0.88 CNR2 (0.36) CA1CA2TSHRCYP2C9DGAT1

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 CA1 489/4885CA2 2120/4885TSHR 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.