SCHEMBL12735140

SCHEMBL12735140

CCOc1ccc(C2CCC(CCc3ccc(-c4ccc(CO)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.39
▸ FFAR4 Q5NUL3 3/20 0.36
▸ NAAA Q02083 1/20 0.35
▸ FPR2 P25090 3/20 0.33
▸ S1PR1 P21453 2/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ RET P07949 1/20 0.32
▸ PTGDR2 Q9Y5Y4 2/20 0.31
▸ SSTR5 P35346 1/20 0.31
▸ FASN P49327 1/20 0.30
▸ SLC5A1 P13866 1/20 0.30
▸ SLC5A2 P31639 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 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
SCHEMBL12735126 0.94 KDM1A (0.39) KDM1AFFAR4NAAAFPR2RET
SCHEMBL12735128 0.93 KDM1A (0.39) KDM1AFFAR4NAAAFPR2S1PR1
SCHEMBL14765726 0.91 KDM1A (0.40) KDM1AFFAR4NAAAFPR2RET
SCHEMBL12735137 0.91 FFAR4 (0.37) KDM1AFFAR4NAAAFPR2S1PR1
SCHEMBL12735142 0.91 KDM1A (0.40) KDM1AFFAR4NAAAFPR2RET
SCHEMBL12735129 0.90 FFAR4 (0.39) KDM1AFFAR4
SCHEMBL13586545 0.89 KDM1A (0.39) KDM1AFFAR4NAAAFPR2S1PR1
SCHEMBL12821322 0.88 KDM1A (0.37) KDM1AFFAR4NAAAFPR2RET
SCHEMBL10302085 0.88 KDM1A (0.44) KDM1AFFAR4NAAASLC5A1SLC5A2
SCHEMBL14765984 0.87 KDM1A (0.38) KDM1AFFAR4NAAA

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 KDM1A 937/4885FFAR4 546/4885NAAA 3997/4885

“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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