SCHEMBL12739303

SCHEMBL12739303

CCOc1ccc(/C=C/C2CCC(c3ccc(-c4ccc(CO)cc4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 3/20 0.34
▸ CAMKK1 Q8N5S9 2/20 0.33
▸ CAMKK2 Q96RR4 2/20 0.33
▸ FFAR1 O14842 3/20 0.32
▸ NR1H4 Q96RI1 5/20 0.32
▸ PPARD Q03181 2/20 0.32
▸ HMOX1 P09601 3/20 0.31
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30
▸ F10 P00742 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
SCHEMBL12739284 0.94 FFAR4 (0.32) FFAR4CAMKK1CAMKK2FFAR1NR1H4
SCHEMBL14766266 0.93 FFAR4 (0.36) FFAR4CAMKK1CAMKK2FFAR1PPARD
SCHEMBL12734337 0.93 FFAR4 (0.34) FFAR4CAMKK1CAMKK2FFAR1NR1H4
SCHEMBL12739289 0.92 FFAR4 (0.33) FFAR4CAMKK1CAMKK2FFAR1NR1H4
SCHEMBL12739300 0.91 HMOX1 (0.33) FFAR4CAMKK1CAMKK2FFAR1HMOX1
SCHEMBL13586590 0.91 LMNA (0.35) FFAR4CAMKK1CAMKK2FFAR1HMOX1
SCHEMBL12739293 0.91 CYP1A1 (0.37) FFAR4FFAR1NR1H4ALOX5APFEN1
SCHEMBL12739292 0.90 FFAR4 (0.35) FFAR4FFAR1HMOX1
SCHEMBL12823666 0.89 PTGS2 (0.36) FFAR4CAMKK1CAMKK2FFAR1
SCHEMBL14766746 0.89 FFAR4 (0.38) FFAR4CAMKK1CAMKK2FFAR1PPARD

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
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

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 FFAR4 546/4885CAMKK1 1995/4885CAMKK2 2172/4885

“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.

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