SCHEMBL20102587

SCHEMBL20102587

C=CC1CCC(C2CCC(COc3ccc4c(c3F)-c3c-4cc(C)c(F)c3F)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.32
HPGD P15428 1/20 0.31
BRD4 O60885 5/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
NR3C1 P04150 1/20 0.31
PDE4B Q07343 2/20 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
SCHEMBL20111371 0.88 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL20111370 0.87 HTR2A (0.31) HTR2AHTR2CHTR2BPDE4B
SCHEMBL20111262 0.86 PDE10A (0.32) PDE10AHPGDBRD4HTR2AHTR2C
SCHEMBL20102520 0.85 PDE10A (0.32) PDE10AHPGDBRD4HTR2AHTR2C
SCHEMBL12366294 0.84 HTR2C (0.33) PDE10AHPGDHTR2AHTR2CHTR2B
SCHEMBL20117898 0.84 HPGD (0.39) HPGDBRD4
SCHEMBL20111715 0.84 HPGD (0.35) HPGDBRD4HTR2AHTR2CHTR2B
SCHEMBL20111333 0.84 PDE10A (0.33) PDE10ABRD4HTR2AHTR2CHTR2B
SCHEMBL20111361 0.83 HPGD (0.36) PDE10AHPGDBRD4HTR2AHTR2C
SCHEMBL20102586 0.82 GRM2 (0.31) PDE10ABRD4HTR2AHTR2CHTR2B

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 PDE10A 1161/4885HPGD 4744/4885BRD4 167/4885

“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.