SCHEMBL12735359

SCHEMBL12735359

CCCC1CCC(c2ccc(CCc3ccc(-c4ccc(OCC)c(F)c4)cc3)c(F)c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.38
▸ S1PR1 P21453 1/20 0.35
▸ FFAR4 Q5NUL3 2/20 0.34
▸ KDM1A O60341 2/20 0.33
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 1/20 0.32
▸ PPARD Q03181 4/20 0.32
▸ FFAR1 O14842 2/20 0.32
▸ NR1H4 Q96RI1 2/20 0.32
▸ PPARA Q07869 2/20 0.31
▸ CAMKK1 Q8N5S9 1/20 0.31
▸ CAMKK2 Q96RR4 1/20 0.31
▸ CYP17A1 P05093 1/20 0.31
▸ CALM1 P0DP23 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
SCHEMBL12735365 0.94 S1PR1 (0.37) NAAAS1PR1FFAR4KDM1ARXRA
SCHEMBL12735356 0.92 NAAA (0.39) NAAAS1PR1FFAR4KDM1ARXRA
SCHEMBL12735377 0.90 NAAA (0.38) NAAAS1PR1FFAR4KDM1ARXRA
SCHEMBL12735382 0.89 NAAA (0.39) NAAAS1PR1FFAR4KDM1ARXRA
SCHEMBL14765735 0.88 NAAA (0.41) NAAAS1PR1FFAR4KDM1ARXRA
SCHEMBL14765737 0.88 NAAA (0.43) NAAAS1PR1FFAR4KDM1ARXRA
SCHEMBL12735267 0.87 FFAR4 (0.36) FFAR4
SCHEMBL12739950 0.87 FFAR4 (0.36) FFAR4
SCHEMBL12736341 0.87 NAAA (0.38) NAAAKDM1ARXRARXRBRXRG
SCHEMBL12735343 0.87 RARB (0.34) 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 3 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-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 NAAA 3997/4885S1PR1 1190/4885FFAR4 546/4885

“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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