SCHEMBL19796735

SCHEMBL19796735

C=CC(=O)OCc1cc(C2CCC(C3CCC(CCCCC)CC3)CC2)ccc1CCCO

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.34
THRA P10827 1/20 0.34
CYP2C9 P11712 1/20 0.34
ESR2 Q92731 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CNR2 P34972 1/20 0.32
SPHK1 Q9NYA1 2/20 0.31
S1PR1 P21453 5/20 0.31
SGPL1 O95470 1/20 0.31
S1PR4 O95977 1/20 0.30
S1PR5 Q9H228 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C8 P10632 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL19796717 0.92 CYP2C9 (0.35) THRBTHRACYP2C9ESR2ALDH1A1
SCHEMBL19797068 0.90 SPHK1 (0.38) THRBTHRACYP2C9SPHK1
SCHEMBL19797069 0.90 THRA (0.32) THRBTHRACYP2C9ALDH1A1LMNA
SCHEMBL19797050 0.89 HPGD (0.32) THRBTHRACYP2C9ALDH1A1LMNA
SCHEMBL19796593 0.87 CYP2C9 (0.34) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL19796733 0.87 FFAR4 (0.34) THRBTHRACYP2C9CNR2CYP3A4
SCHEMBL19804460 0.86 FFAR4 (0.33) THRBTSHR
SCHEMBL19797039 0.84 FFAR4 (0.32) THRBTHRACYP2C9ESR2ALDH1A1
SCHEMBL19797070 0.84 FASN (0.31)
SCHEMBL19796740 0.83 CYP2C9 (0.35) THRBTHRACYP2C9ESR2ALDH1A1

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 THRB 4323/4885THRA 4376/4885CYP2C9 4202/4885

“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.