SCHEMBL19796900

SCHEMBL19796900

C=CC(=O)OCCc1cc(-c2ccc(CCCCCCC)cc2)ccc1-c1ccc(OCCO)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP1 P29466 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLCO1B3 Q9NPD5 1/20 0.49
SLCO1B1 Q9Y6L6 1/20 0.49
PTPN11 Q06124 2/20 0.42
THRA P10827 3/20 0.41
RARB P10826 8/20 0.41
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
PLA2G4A P47712 1/20 0.40

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
SCHEMBL19796446 0.94 THRB (0.50) THRBMEN1KMT2AUSP2ALDH1A1
SCHEMBL19796898 0.91 THRB (0.52) THRBMEN1KMT2AUSP2ALDH1A1
SCHEMBL19796840 0.88 THRB (0.47) THRBMEN1KMT2AUSP2ALDH1A1
SCHEMBL19796927 0.87 THRB (0.52) THRBMEN1KMT2AUSP2ALDH1A1
SCHEMBL17070539 0.87 THRB (0.44) THRBMEN1KMT2APTPN11THRA
SCHEMBL19796386 0.86 THRB (0.51) THRBMEN1KMT2AUSP2ALDH1A1
SCHEMBL19796763 0.85 THRB (0.48) THRBMEN1KMT2AALDH1A1PTPN11
SCHEMBL19796403 0.85 THRB (0.50) THRBMEN1KMT2AUSP2ALDH1A1
SCHEMBL19804594 0.85 THRB (0.46) THRBMEN1KMT2AUSP2ALDH1A1
SCHEMBL19796726 0.85 THRB (0.46) THRBMEN1KMT2AALDH1A1THRA

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 4323/4885MEN1 1151/4885KMT2A 3392/4885

“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.