SCHEMBL12822997

SCHEMBL12822997

C=CCCOc1ccc(OCC2CCC(c3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 5/20 0.36
▸ FFAR1 O14842 11/20 0.36
▸ PPARD Q03181 6/20 0.36
▸ ACACA Q13085 3/20 0.35
▸ PPARA Q07869 1/20 0.33

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
SCHEMBL12823022 0.97 FFAR1 (0.38) ACACBFFAR1PPARDACACAPPARA
SCHEMBL12821949 0.94 FFAR1 (0.35) ACACBFFAR1PPARDACACA
SCHEMBL12823558 0.92 PDE4D (0.38) ACACBFFAR1PPARDACACAPPARA
SCHEMBL12822355 0.91 ACACB (0.36) ACACBFFAR1PPARD
SCHEMBL12823886 0.90 FFAR1 (0.39) ACACBFFAR1PPARDACACAPPARA
SCHEMBL12823351 0.90 ALOX5AP (0.34) ACACB
SCHEMBL12823832 0.90 ALOX5AP (0.34) ACACB
SCHEMBL12822817 0.90 CASR (0.35) ACACBFFAR1
SCHEMBL12740800 0.89 PPARD (0.38) FFAR1PPARDPPARA
SCHEMBL14767103 0.88 FFAR1 (0.38) FFAR1PPARDPPARA

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 ACACB 3260/4885FFAR1 247/4885PPARD 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