SCHEMBL12823852

SCHEMBL12823852

C=CCCCOc1ccc(OCc2ccc(-c3ccc(C4CCC(C(O)CCC)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 14/20 0.34
▸ PPARD Q03181 10/20 0.33
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ S1PR1 P21453 1/20 0.30
▸ S1PR3 Q99500 1/20 0.30
▸ F10 P00742 1/20 0.30
▸ ALOX5 P09917 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
SCHEMBL12823895 0.97 FFAR1 (0.35) FFAR1PPARDGABRA1GABRB2FFAR4
SCHEMBL12823581 0.96 FFAR1 (0.34) FFAR1PPARDCSF1RF10
SCHEMBL12717508 0.95 FFAR1 (0.34) FFAR1PPARDGABRA1GABRB2CSF1R
SCHEMBL12822766 0.93 FFAR1 (0.36) FFAR1PPARDGABRA1GABRB2F10
SCHEMBL12719074 0.93 PPARD (0.35) FFAR1PPARDGABRA1GABRB2FFAR4
SCHEMBL12716774 0.92 FFAR1 (0.34) FFAR1PPARDGABRA1GABRB2CSF1R
SCHEMBL12821299 0.92 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL12719502 0.92 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL12823908 0.91 FFAR1 (0.40) FFAR1PPARDFFAR4F10
SCHEMBL12719032 0.89 FFAR4 (0.36) FFAR1GABRA1GABRB2FFAR4S1PR1

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 FFAR1 247/4885PPARD 3762/4885GABRA1 3981/4885

“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