SCHEMBL12738828

SCHEMBL12738828

COc1ccc(-c2ccc(CCc3ccc(-c4cnc(CO)nc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 3/20 0.39
▸ FFAR4 Q5NUL3 6/20 0.35
▸ CYP17A1 P05093 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ BRS3 P32247 1/20 0.34
▸ FFAR1 O14842 3/20 0.33
▸ MAP4K1 Q92918 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ NTRK2 Q16620 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
SCHEMBL12823608 0.88 GRM2 (0.37) FYNFFAR4CYP17A1CYP3A4CYP11B1
SCHEMBL10301924 0.87 PDCD1 (0.38) FYNFFAR4KDM4E
SCHEMBL12740101 0.87 FYN (0.39) FYNFFAR4
SCHEMBL12735563 0.87 FYN (0.39) FYNFFAR4
SCHEMBL10303017 0.87 CYP19A1 (0.39) FFAR4CYP17A1
SCHEMBL12738890 0.85 FFAR4 (0.37) FYNFFAR4CYP17A1FFAR1CSF1R
SCHEMBL10302996 0.83 CALM1 (0.41) FFAR4
SCHEMBL12735539 0.82 CHKA (0.36) FFAR4
SCHEMBL10301917 0.82 FFAR4 (0.37) FFAR4
SCHEMBL12740086 0.82 CHKA (0.36) FFAR4

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 FYN 211/4885FFAR4 546/4885CYP17A1 1283/4885

“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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