SCHEMBL12822346

SCHEMBL12822346

C=CCCOc1ccc(-c2ccc(CCc3ccc(C4=CCC(C(C)O)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
FFAR4 Q5NUL3 6/20 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
SCHEMBL12718759 0.92 HTR2A (0.31) S1PR1S1PR3FFAR4
SCHEMBL12718104 0.92 S1PR1 (0.34) S1PR1S1PR3
SCHEMBL13586494 0.89 S1PR1 (0.33) S1PR1S1PR3FFAR4
SCHEMBL12823576 0.88 GABRA1 (0.30)
SCHEMBL12823612 0.88 S1PR1 (0.36) S1PR1S1PR3
SCHEMBL12738786 0.88 S1PR1 (0.33) S1PR1S1PR3
SCHEMBL12823640 0.88
SCHEMBL14766806 0.85 S1PR1 (0.33) S1PR1S1PR3
SCHEMBL12822436 0.84 FFAR4 (0.36) S1PR1S1PR3FFAR4
SCHEMBL12738787 0.84 S1PR1 (0.34) S1PR1S1PR3FFAR4

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-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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 WO 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.