SCHEMBL19796970

SCHEMBL19796970

C=CC(=O)OCCOc1cc(CCCCC)ccc1-c1ccc(-c2ccc(OCCO)cc2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
KMT2A Q03164 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
RARB P10826 3/20 0.44
PTPN11 Q06124 3/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
HRH2 P25021 1/20 0.36

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
SCHEMBL19796959 0.91 RARB (0.47) THRBSMN1; SMN2MEN1USP2ALDH1A1
SCHEMBL19796927 0.89 THRB (0.52) THRBSMN1; SMN2MEN1USP2ALDH1A1
SCHEMBL19796445 0.88 THRB (0.48) THRBSMN1; SMN2MEN1USP2ALDH1A1
SCHEMBL19804687 0.84 THRB (0.52) THRBSMN1; SMN2USP2ALDH1A1KMT2A
SCHEMBL19796446 0.82 THRB (0.50) THRBSMN1; SMN2MEN1USP2ALDH1A1
SCHEMBL19796750 0.82 RARB (0.46) THRBSMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL19797130 0.81 RARB (0.36) THRBSMN1; SMN2MEN1USP2ALDH1A1
SCHEMBL19796961 0.81 RARB (0.43) THRBSMN1; SMN2MEN1USP2ALDH1A1
SCHEMBL19796892 0.81 THRB (0.50) THRBMEN1ALDH1A1KMT2ARARB
SCHEMBL19796837 0.80 RARB (0.48) THRBMEN1ALDH1A1KMT2ARARB

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 4323/4885SMN1; SMN2 3551/4885MEN1 1151/4885

“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.