SCHEMBL12822726

SCHEMBL12822726

C=CCOc1ccc(OCC2CCC(c3ccc(C4CCC(C(C)O)CC4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 13/20 0.41
▸ PDE4D Q08499 1/20 0.38
▸ PPARD Q03181 4/20 0.37
▸ ACACB O00763 2/20 0.35
▸ FFAR4 Q5NUL3 3/20 0.35

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
SCHEMBL12823534 0.96 FFAR1 (0.43) FFAR1PPARD
SCHEMBL12821840 0.94 FFAR1 (0.40) FFAR1PDE4DPPARDACACB
SCHEMBL12822350 0.91 FFAR1 (0.40) FFAR1PPARDACACBFFAR4
SCHEMBL12823536 0.89 FFAR1 (0.42) FFAR1PPARDACACB
SCHEMBL12822621 0.88 FFAR1 (0.43) FFAR1PPARDACACBFFAR4
SCHEMBL12822345 0.88 HTR2C (0.36) FFAR1PDE4D
SCHEMBL12822793 0.88 HTR2C (0.36) FFAR1PDE4D
SCHEMBL12823343 0.88 FFAR1 (0.34) FFAR1PDE4D
SCHEMBL12740690 0.87 SCN9A (0.41) FFAR1PDE4DPPARD
SCHEMBL12823558 0.87 PDE4D (0.38) FFAR1PDE4DPPARDACACBFFAR4

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 247/4885PDE4D 2884/4885PPARD 3762/4885

“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