SCHEMBL19804587

SCHEMBL19804587

C=CC(=O)OCCc1cc(CO)ccc1-c1ccc(-c2ccccc2)c(CC)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.42
PDE1A P54750 2/20 0.37
PDE1B Q01064 2/20 0.37
PDE1C Q14123 2/20 0.37
FFAR1 O14842 6/20 0.36
FFAR4 Q5NUL3 6/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
GSTO1 P78417 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
APP P05067 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 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
SCHEMBL19796833 0.89 THRB (0.48) THRBHPGDTSHR
SCHEMBL19804478 0.87 THRB (0.42) THRBPDE1APDE1BPDE1CGSTO1
SCHEMBL19796375 0.86 THRB (0.49) THRBFFAR1FFAR4TP53MCL1
SCHEMBL19804295 0.85 FFAR4 (0.42) THRBFFAR1FFAR4TP53HPGD
SCHEMBL19796436 0.85 THRB (0.47) THRBFFAR1FFAR4TP53MCL1
SCHEMBL19804794 0.84 PDE1A (0.38) THRBPDE1APDE1BPDE1CFFAR1
SCHEMBL19804527 0.84 THRB (0.41) THRBPDE1APDE1BPDE1CGSTO1
SCHEMBL19804252 0.83 PTGER4 (0.35) THRBPDE1APDE1BPDE1CFFAR1
SCHEMBL19804639 0.83 THRB (0.41) THRBFFAR1FFAR4TP53MDM2
SCHEMBL19558416 0.82 RARA (0.44) THRBTP53MDM2BCL2L1MCL1

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 4323/4885PDE1A 2602/4885PDE1B 2728/4885

“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.