SCHEMBL12716976

SCHEMBL12716976

C=CCCOc1ccc(-c2ccc(CCc3ccc(C4CCC(C(C)O)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.33
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ FFAR4 Q5NUL3 6/20 0.31
▸ NR1H4 Q96RI1 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ TMEM97 Q5BJF2 1/20 0.30
▸ SIGMAR1 Q99720 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
SCHEMBL12823246 0.92 ALDH1A1 (0.32) S1PR1FFAR4NR1H4
SCHEMBL12821146 0.91 S1PR1 (0.33) S1PR1GABRA1GABRB2
SCHEMBL12822463 0.89 GABRA1 (0.33) GABRA1GABRB2FFAR4
SCHEMBL12717004 0.89 GABRA1 (0.33) GABRA1GABRB2FFAR4
SCHEMBL12735416 0.89 KDM4E (0.33) S1PR1GABRA1GABRB2FFAR4NR1H4
SCHEMBL12822723 0.88 FFAR1 (0.34) FFAR4NR1H4
SCHEMBL12823312 0.88 NR1H4 (0.34) GABRA1GABRB2FFAR4NR1H4
SCHEMBL12822441 0.88 KCNH2 (0.33) GABRA1GABRB2FFAR4KCNH2TMEM97
SCHEMBL14766273 0.87 NAAA (0.35) S1PR1GABRA1GABRB2NR1H4
SCHEMBL12823304 0.87 S1PR1 (0.34) S1PR1GABRA1GABRB2FFAR4

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