SCHEMBL12823538

SCHEMBL12823538

C=CCCOc1ccc(OCC2CCC(c3ccc(C4CCC(C(O)CCC)CC4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 13/20 0.38
▸ PPARD Q03181 5/20 0.35
▸ ACACB O00763 4/20 0.34
▸ CNR2 P34972 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32

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
SCHEMBL12823311 0.97 FFAR1 (0.39) FFAR1PPARDACACBPPARGPPARA
SCHEMBL12822568 0.96 FFAR1 (0.37) FFAR1PPARDACACBCNR2PPARG
SCHEMBL12822681 0.95 FFAR1 (0.37) FFAR1PPARDACACBCNR2
SCHEMBL12823865 0.92 FFAR1 (0.38) FFAR1PPARDPPARGPPARA
SCHEMBL12822975 0.92 FFAR1 (0.37) FFAR1PPARDACACBCNR2
SCHEMBL12822350 0.90 FFAR1 (0.40) FFAR1PPARDACACB
SCHEMBL12822971 0.89 CNR2 (0.34) FFAR1CNR2
SCHEMBL12823392 0.89 CNR2 (0.34) FFAR1CNR2
SCHEMBL12823148 0.89 CNR2 (0.32) FFAR1ACACBCNR2
SCHEMBL13586618 0.89 FFAR1 (0.40) FFAR1PPARDACACBCNR2

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 3762/4885ACACB 3260/4885

“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