SCHEMBL19007877

SCHEMBL19007877

C=C(C)C(=O)OCCc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2)ccc1OCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
CYP2C9 P11712 1/20 0.34
DGAT1 O75907 2/20 0.34
SOAT1 P35610 1/20 0.34
PTPN11 Q06124 2/20 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
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
MCHR1 Q99705 1/20 0.32
SLC6A9 P48067 1/20 0.32
FPR2 P25090 1/20 0.32
PPARG P37231 4/20 0.32
PPARA Q07869 2/20 0.32
PPARD Q03181 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ESR1 P03372 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
SCHEMBL19796638 0.96 TSHR (0.36) TSHRCYP2C9DGAT1SOAT1PTPN11
SCHEMBL19007866 0.94 PPARD (0.37) TSHRCYP2C9DGAT1SOAT1PTPN11
SCHEMBL19797141 0.93 PPARA (0.34) TSHRDGAT1SOAT1FPR2PPARG
SCHEMBL19797011 0.93 PPARD (0.37) CYP2C9PPARGPPARAPPARD
SCHEMBL19796618 0.92 CYP2C9 (0.35) TSHRCYP2C9DGAT1SOAT1PTPN11
SCHEMBL17070423 0.92 PPARD (0.33) TSHRDGAT1SOAT1PTPN11PPARG
SCHEMBL20171737 0.91 TSHR (0.34) TSHRCYP2C9RAB9APPARGPPARA
SCHEMBL19796633 0.91 TSHR (0.34) TSHRCYP2C9RAB9APPARGPPARA
SCHEMBL19796651 0.91 FPR2 (0.36) TSHRCYP2C9DGAT1SOAT1PTPN11
SCHEMBL24378026 0.91 CYP2C9 (0.31) TSHRCYP2C9DGAT1PTPN11RAB9A

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 TSHR 4195/4885CYP2C9 4202/4885DGAT1 2685/4885

“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.