SCHEMBL19796734

SCHEMBL19796734

C=CC(=O)OCCOc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2)ccc1CCO

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.37
CNR1 P21554 8/20 0.37
THRB P10828 2/20 0.35
THRA P10827 1/20 0.35
CYP2C9 P11712 1/20 0.35
PTPN11 Q06124 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
DGAT1 O75907 2/20 0.33
SOAT1 P35610 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33

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
SCHEMBL19796739 0.96 CNR2 (0.38) CNR2CNR1THRBTHRACYP2C9
SCHEMBL19797036 0.94 CNR2 (0.34) CNR2CNR1THRBTHRACYP2C9
SCHEMBL19007875 0.94 CNR2 (0.35) CNR2CNR1THRBTHRACYP2C9
SCHEMBL19797037 0.93 CYP2C9 (0.35) CNR2CNR1THRBTHRACYP2C9
SCHEMBL19797042 0.90 CNR2 (0.36) CNR2CNR1THRBTHRACYP2C9
SCHEMBL19796727 0.89 CYP2C9 (0.36) THRBTHRACYP2C9HPGDTSHR
SCHEMBL19796585 0.89 CNR2 (0.36) CNR2CNR1CYP2C9PTPN11TSHR
SCHEMBL19796767 0.89 CNR2 (0.36) CNR2CNR1THRBTHRACYP2C9
SCHEMBL19796745 0.88 PTPN11 (0.36) CNR2CNR1THRBTHRACYP2C9
SCHEMBL19797112 0.87 SPHK1 (0.38) THRBCYP2C9PTPN11PTPN1PTPN6

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 CNR2 1075/4885CNR1 320/4885THRB 4323/4885

“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.