SCHEMBL12739735

SCHEMBL12739735

C=CCCOc1ccc(CCC2CCC(c3ccc(C4CCC(C)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
SCN9A Q15858 2/20 0.33
HPGD P15428 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
HTR6 P50406 1/20 0.31

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
SCHEMBL12739739 0.95 KDM4E (0.37) KDM4ESCN9AHPGDALDH1A1MAPK1
SCHEMBL14766671 0.90 GABRA1 (0.32) HPGD
SCHEMBL12739734 0.90 HTR2C (0.36) KDM4ESCN9AALDH1A1HTR6
SCHEMBL12823002 0.88 KCNH2 (0.32) HPGD
SCHEMBL10302176 0.87 MAPT (0.33) HTR6
SCHEMBL12739724 0.87 GLA (0.37) KDM4ESCN9AHPGDMAPK1HTR6
SCHEMBL12739876 0.86 ALOX5AP (0.32)
SCHEMBL14766891 0.86 SCN9A (0.33) SCN9A
SCHEMBL12734972 0.86 HPGD (0.32) SCN9AHPGD
SCHEMBL12739726 0.86 S1PR1 (0.38) KDM4ESCN9AHPGDMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 KDM4E 2690/4885SCN9A 2503/4885HPGD 4781/4885

“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.