SCHEMBL19796740

SCHEMBL19796740

C=CC(=O)OCCc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2)ccc1CCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
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
THRB P10828 2/20 0.34
THRA P10827 1/20 0.34
DGAT1 O75907 3/20 0.33
SOAT1 P35610 1/20 0.33
SPHK1 Q9NYA1 3/20 0.32
ESR2 Q92731 1/20 0.32
P2RY14 Q15391 1/20 0.32
CNR2 P34972 3/20 0.31
RAB9A P51151 1/20 0.31
CNR1 P21554 2/20 0.30
FFAR4 Q5NUL3 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL19796741 0.96 HPGD (0.37) CYP2C9HPGDTSHRALDH1A1LMNA
SCHEMBL19796727 0.95 CYP2C9 (0.36) CYP2C9HPGDTSHRALDH1A1LMNA
SCHEMBL19796718 0.93 CYP2C9 (0.36) CYP2C9HPGDTSHRALDH1A1LMNA
SCHEMBL19797033 0.91 HPGD (0.35) CYP2C9HPGDTSHRALDH1A1LMNA
SCHEMBL19797100 0.90 FFAR4 (0.39) CYP2C9THRBDGAT1SOAT1SPHK1
SCHEMBL19796739 0.90 CNR2 (0.38) CYP2C9HPGDTSHRALDH1A1LMNA
SCHEMBL19797040 0.89 CYP3A4 (0.33) CYP2C9HPGDTSHRTHRBTHRA
SCHEMBL19796586 0.89 TSHR (0.35) CYP2C9TSHRALDH1A1LMNAMAPT
SCHEMBL19796745 0.89 PTPN11 (0.36) CYP2C9HPGDTSHRALDH1A1LMNA
SCHEMBL19796858 0.88 CYP2C9 (0.35) CYP2C9HPGDTSHRALDH1A1LMNA

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 CYP2C9 4202/4885HPGD 4741/4885TSHR 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.