SCHEMBL12718841

SCHEMBL12718841

C=CCCOc1ccc(CCc2ccc(-c3ccc(-c4ccc(C(O)CCC)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.34
▸ GABRA1 P14867 2/20 0.34
▸ GABRB2 P47870 2/20 0.34
▸ CNR2 P34972 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ S1PR2 O95136 1/20 0.31
▸ S1PR3 Q99500 1/20 0.31
▸ LPAR2 Q9HBW0 1/20 0.31
▸ LTA4H P09960 1/20 0.30
▸ RARB P10826 1/20 0.30

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
SCHEMBL12718518 0.95 S1PR1 (0.35) S1PR1GABRA1GABRB2CNR2CNR1
SCHEMBL12823053 0.91 S1PR1 (0.37) S1PR1GABRA1GABRB2CNR2CNR1
SCHEMBL12823850 0.90 FFAR1 (0.37) CNR2CNR1
SCHEMBL12823339 0.88 S1PR1 (0.33) S1PR1GABRA1GABRB2CNR2CNR1
SCHEMBL12823600 0.88 FFAR1 (0.36) CNR2CNR1
SCHEMBL12719036 0.88 GABRA1 (0.33) GABRA1GABRB2CNR2CNR1
SCHEMBL12716513 0.88 GABRA1 (0.33) GABRA1GABRB2CNR2CNR1
SCHEMBL10303076 0.87 CNR2 (0.35) S1PR1GABRA1GABRB2CNR2CNR1
SCHEMBL12716840 0.87 FAAH (0.34) S1PR1GABRA1GABRB2CNR2CNR1
SCHEMBL12718504 0.87 FAAH (0.42) S1PR1GABRA1GABRB2FAAHS1PR3

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 3 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
EP-2305627-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-04-06 — — EP 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 1190/4885GABRA1 3981/4885GABRB2 4384/4885

“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.

Send feedback