SCHEMBL10008735

SCHEMBL10008735

CCCCCCOc1ccc([C@H]2CC[C@H](c3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3)CC2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
FPR2 P25090 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SCN9A Q15858 1/20 0.34
S1PR2 O95136 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
LPAR2 Q9HBW0 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
IKBKB O14920 2/20 0.32
SPHK1 Q9NYA1 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
SCHEMBL10008737 1.00 KDM1A (0.38) KDM1AFPR2L3MBTL1SCN9AS1PR2
SCHEMBL15381674 0.96 KDM1A (0.39) KDM1AFPR2L3MBTL1SCN9APDE4A
SCHEMBL15381671 0.91 KDM1A (0.44) KDM1AFPR2PDE4A
SCHEMBL10008504 0.90 L3MBTL1 (0.38) FPR2L3MBTL1SCN9AS1PR2S1PR1
SCHEMBL10008503 0.90 L3MBTL1 (0.38) FPR2L3MBTL1SCN9AS1PR2S1PR1
SCHEMBL18175648 0.89 KDM1A (0.37) KDM1AFPR2L3MBTL1SCN9AS1PR2
SCHEMBL11933125 0.89 SCN9A (0.35) KDM1AFPR2SCN9APDE4APDE4B
SCHEMBL11933115 0.86 KDM1A (0.40) KDM1AFPR2PDE4A
SCHEMBL10301633 0.86 FPR2 (0.36) KDM1AFPR2SCN9AS1PR2S1PR1
SCHEMBL10301630 0.86 FPR2 (0.36) KDM1AFPR2SCN9AS1PR2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479162-B1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2016-10-26 EP disclosed
US-8580147-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
EP-2479162-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2012-07-25 EP disclosed
US-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, OCIAD1, LEO1 KDM1A 1622/4885FPR2 804/4885L3MBTL1 141/4885

“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.