SCHEMBL12734286

SCHEMBL12734286

CCOc1ccc(C2CCC(/C=C/c3ccc(-c4ccc(C)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
FPR2 P25090 2/20 0.32
NAAA Q02083 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL14765696 0.93 KDM1A (0.39) KDM1AFPR2NAAA
SCHEMBL12734290 0.92 KDM1A (0.31) KDM1A
SCHEMBL12734270 0.92 KDM1A (0.39) KDM1AFPR2NAAA
SCHEMBL12734292 0.91 THRB (0.32) KDM1AFPR2ALDH1A1GAAMAPT
SCHEMBL12734302 0.91 HTR2C (0.33)
SCHEMBL12716182 0.91 KDM1A (0.38) KDM1AFPR2NAAAKDM4EALDH1A1
SCHEMBL12734282 0.91 KDM1A (0.38) KDM1AFPR2NAAA
SCHEMBL12734300 0.90 THRB (0.34) KDM1AFPR2ALDH1A1GAAMAPT
SCHEMBL12734298 0.90 THRB (0.34) KDM1AFPR2ALDH1A1GAAMAPT
SCHEMBL12734296 0.90 THRB (0.34) KDM1AFPR2ALDH1A1GAAMAPT

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 937/4885FPR2 589/4885NAAA 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.