SCHEMBL19796763

SCHEMBL19796763

C=CC(=O)OCCc1cc(-c2ccc(CCc3ccc(CCCCC)cc3)cc2)ccc1OCCO

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.48
PTPN11 Q06124 2/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
CNR2 P34972 2/20 0.42
THRA P10827 5/20 0.42
CNR1 P21554 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RARB P10826 8/20 0.40
RARA P10276 2/20 0.40
RARG P13631 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MTOR P42345 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL17070539 0.93 THRB (0.44) THRBPTPN11PTPN1PTPN6CNR2
SCHEMBL19796744 0.91 RARB (0.46) THRBPTPN11PTPN1PTPN6CNR2
SCHEMBL19796752 0.89 THRB (0.44) THRBPTPN11PTPN1PTPN6CNR2
SCHEMBL19624613 0.89 TSHR (0.38) THRBPTPN11PTPN1PTPN6CNR2
SCHEMBL19796748 0.89 THRB (0.51) THRBPTPN11PTPN1PTPN6THRA
SCHEMBL19796311 0.88 TSHR (0.38) THRBPTPN11PTPN1PTPN6CNR2
SCHEMBL19796403 0.88 THRB (0.50) THRBTHRAMEN1KMT2ARARB
SCHEMBL19796749 0.87 RARB (0.47) THRBPTPN11PTPN1PTPN6CNR2
SCHEMBL19804119 0.87 THRB (0.46) THRBMEN1KMT2AALDH1A1MAPT
SCHEMBL19796750 0.87 RARB (0.46) THRBPTPN11PTPN1PTPN6CNR2

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 4323/4885PTPN11 2304/4885PTPN1 1016/4885

“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.