SCHEMBL12739732

SCHEMBL12739732

CCCCCCCCOc1ccc(CCC2CCC(c3ccc(C4CCC(C)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.40
S1PR3 Q99500 2/20 0.40
S1PR2 O95136 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
PPARG P37231 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GLA P06280 1/20 0.34
LYPLA1 O75608 1/20 0.33
LYPLA2 O95372 1/20 0.33
ABHD16A O95870 1/20 0.33
SCN9A Q15858 3/20 0.33
S1PR4 O95977 1/20 0.33
S1PR5 Q9H228 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MEN1 O00255 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL12739733 1.00 S1PR1 (0.40) S1PR1S1PR3S1PR2LPAR2THRA
SCHEMBL12739729 1.00 S1PR1 (0.40) S1PR1S1PR3S1PR2LPAR2THRA
SCHEMBL12739726 0.99 S1PR1 (0.38) S1PR1S1PR3S1PR2LPAR2THRA
SCHEMBL12739724 0.96 GLA (0.37) S1PR1S1PR3S1PR2LPAR2PPARG
SCHEMBL12739722 0.89 KDM1A (0.38) SCN9A
SCHEMBL10302172 0.87 S1PR1 (0.36) S1PR1S1PR3S1PR2LPAR2PPARG
SCHEMBL12739714 0.87 KDM1A (0.36) S1PR1S1PR3S1PR2LPAR2LYPLA1
SCHEMBL12739739 0.86 KDM4E (0.37) SCN9AKDM4EMAPK1
SCHEMBL12739874 0.86 S1PR1 (0.36) S1PR1S1PR3S1PR2LPAR2THRA
SCHEMBL12739872 0.86 S1PR1 (0.36) S1PR1S1PR3S1PR2LPAR2THRA

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 S1PR1 1190/4885S1PR3 757/4885S1PR2 1141/4885

“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.