SCHEMBL12733708

SCHEMBL12733708

CCCCCC1CCC(c2ccc(C3CCC(c4ccc(OCC)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.45
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
OPRL1 P41146 4/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
TPH1 P17752 1/20 0.32
PDE4A P27815 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
FPR2 P25090 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SCN9A Q15858 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
SCHEMBL12735841 0.95 KDM1A (0.41) KDM1AFPR2SCN9A
SCHEMBL10979270 0.93 KDM1A (0.51) KDM1ACYP2C9TDP1MAPTGAA
SCHEMBL10979273 0.93 KDM1A (0.51) KDM1ACYP2C9TDP1MAPTGAA
SCHEMBL12734948 0.93 KDM1A (0.40) KDM1A
SCHEMBL11063187 0.92 KDM1A (0.50) KDM1ACYP2C9MAPTGAAPDE4A
SCHEMBL11063179 0.92 KDM1A (0.50) KDM1ACYP2C9MAPTGAAPDE4A
SCHEMBL12736635 0.91 KDM1A (0.38) KDM1A
SCHEMBL12733687 0.90 KDM1A (0.40) KDM1ACYP2C9OPRL1PDE4AFPR2
SCHEMBL12737190 0.90 HPGD (0.39) KDM1ACYP2C9HPGDTDP1MAPT
SCHEMBL10982370 0.90 KDM1A (0.52) KDM1ACYP2C9HPGDTDP1MAPT

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 937/4885CYP2C9 2816/4885HPGD 4781/4885

“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.