SCHEMBL20102463

SCHEMBL20102463

CCCC1CCC(COc2cc3c(c(C(F)(F)F)c2C)-c2c-3ccc(OCC)c2F)CC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.32
PTGER1 P34995 1/20 0.32

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
SCHEMBL20111317 0.92 GRM2 (0.33) GRM2PTGER1
SCHEMBL20102392 0.87 HTR2A (0.34)
SCHEMBL20117626 0.84 KDM1A (0.33)
SCHEMBL20111318 0.84 HPGD (0.38) GRM2PTGER1
SCHEMBL20102521 0.82 HTR2A (0.33) GRM2PTGER1
SCHEMBL20111289 0.82 SLC6A4 (0.35) PTGER1
SCHEMBL20102519 0.81 HTR2A (0.34) PTGER1
SCHEMBL10019612 0.81 BRD4 (0.38)
SCHEMBL20111302 0.81 HPGD (0.39) GRM2
SCHEMBL20102571 0.80 HTR2A (0.32) GRM2

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 GRM2 3967/4885PTGER1 1465/4885

“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.