SCHEMBL20102567

SCHEMBL20102567

CCCCCOc1ccc(-c2ccc3c(c2F)-c2c-3cc(OCC3CCC(CCCCC)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
FFAR4 Q5NUL3 1/20 0.31
GRM2 Q14416 2/20 0.30
RIPK1 Q13546 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
SCHEMBL20102461 0.96 PPARG (0.32) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL20102546 0.93 PPARG (0.31) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL20102571 0.90 HTR2A (0.32) HTR2AHTR2CHTR2BGRM2RIPK1
SCHEMBL20102396 0.90 HTR2A (0.32) HTR2AHTR2CHTR2BGRM2RIPK1
SCHEMBL20102614 0.88 HTR2A (0.31) HTR2AHTR2CHTR2BGRM2RIPK1
SCHEMBL20102604 0.88 HTR2A (0.31) HTR2AHTR2CHTR2BGRM2RIPK1
SCHEMBL9405733 0.85 RIPK1 (0.38) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL9405737 0.85 RIPK1 (0.38) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL20102457 0.84 CTSL (0.33) RIPK1
SCHEMBL9406093 0.84 RIPK1 (0.38) THRATHRBHTR2AHTR2CHTR2B

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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S THRA 3521/4885THRB 3964/4885HTR2A 791/4885

“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.