SCHEMBL12736788

SCHEMBL12736788

CCCCCOc1ccc(C2CCC(OCc3ccc(-c4ccc(C)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.38
KDM1A O60341 2/20 0.34
FFAR4 Q5NUL3 1/20 0.33
THRB P10828 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FPR2 P25090 2/20 0.32
THRA P10827 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
TMEM97 Q5BJF2 1/20 0.31
DRD4 P21917 1/20 0.31
AOC3 Q16853 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
SCHEMBL12736793 0.99 NAAA (0.37) NAAAKDM1AFFAR4THRBALDH1A1
SCHEMBL12736794 0.99 NAAA (0.37) NAAAKDM1AFFAR4THRBALDH1A1
SCHEMBL12736790 0.99 NAAA (0.37) NAAAKDM1AFFAR4THRBALDH1A1
SCHEMBL12736787 0.97 NAAA (0.38) NAAAKDM1AFFAR4FPR2S1PR1
SCHEMBL12736786 0.92 NAAA (0.45) NAAAKDM1AFFAR4ALDH1A1GAA
SCHEMBL14766472 0.91 NAAA (0.39) NAAAKDM1AFFAR4
SCHEMBL12736805 0.89 NAAA (0.35) NAAAKDM1AFFAR4GABRA1GABRB2
SCHEMBL14766469 0.89 NAAA (0.38) NAAAKDM1AFFAR4FPR2GABRA1
SCHEMBL14766220 0.88 NAAA (0.42) NAAAKDM1AFFAR4
SCHEMBL10302614 0.88 KDM1A (0.37) NAAAKDM1ATHRBALDH1A1GAA

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 NAAA 3997/4885KDM1A 937/4885FFAR4 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.