SCHEMBL12740945

SCHEMBL12740945

CCOc1ccc(OCc2ccc(-c3ccc(-c4ccc(CO)cc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
FFAR4 Q5NUL3 2/20 0.40
GAA P10253 2/20 0.39
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
TACR2 P21452 1/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
AGPAT2 O15120 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
TP53 P04637 2/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL12736494 1.00 S1PR1 (0.43) S1PR1S1PR3FFAR4GAAHTR1A
SCHEMBL424596 0.94 S1PR1 (0.47) S1PR1S1PR3FFAR4MAPTHPGD
SCHEMBL1243355 0.94 HTR1A (0.42) S1PR1S1PR3FFAR4GAAHTR1A
SCHEMBL12736531 0.91 FFAR1 (0.42) S1PR1S1PR3FFAR4GAARXRA
SCHEMBL10302275 0.91 S1PR1 (0.42) S1PR1S1PR3FFAR4GAANPC1
SCHEMBL10302195 0.90 FFAR4 (0.38) S1PR1S1PR3FFAR4GAAHTR1A
SCHEMBL12736497 0.90 MRGPRX4 (0.47) S1PR1FFAR4GAAMAPTNPC1
SCHEMBL12740944 0.90 MRGPRX4 (0.47) S1PR1FFAR4GAAMAPTNPC1
SCHEMBL12740938 0.90 HTR1A (0.39) S1PR1S1PR3FFAR4GAAHTR1A
SCHEMBL12736483 0.90 HTR1A (0.39) S1PR1S1PR3FFAR4GAAHTR1A

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 757/4885FFAR4 546/4885

“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.