SCHEMBL10043087

SCHEMBL10043087

CCCCCC1CCC(C2CCC(c3cc(F)c(C4CCC(c5ccc(OC(F)(F)F)cc5)CC4)c(F)c3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
CYP2C9 P11712 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
SCN9A Q15858 1/20 0.34
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
P2RY1 P47900 1/20 0.33
EPHX2 P34913 3/20 0.32
FFAR4 Q5NUL3 1/20 0.32
SPHK1 Q9NYA1 2/20 0.32
LIPE Q05469 1/20 0.32

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
SCHEMBL3437355 0.90 KDM1A (0.41) KDM1ARCOR1CYP2C9HDAC3HDAC1
SCHEMBL5352864 0.90 KDM1A (0.41) KDM1ARCOR1CYP2C9HDAC3HDAC1
SCHEMBL5352855 0.90 KDM1A (0.41) KDM1ARCOR1CYP2C9HDAC3HDAC1
SCHEMBL10535690 0.89 KDM1A (0.40) KDM1ARCOR1CYP2C9HDAC3HDAC1
SCHEMBL9061171 0.89 KDM1A (0.40) KDM1ARCOR1CYP2C9HDAC3HDAC1
SCHEMBL9061183 0.89 KDM1A (0.40) KDM1ARCOR1CYP2C9HDAC3HDAC1
SCHEMBL9062074 0.89 KDM1A (0.40) KDM1ARCOR1CYP2C9HDAC3HDAC1
SCHEMBL9061929 0.89 KDM1A (0.40) KDM1ARCOR1CYP2C9HDAC3HDAC1
SCHEMBL9060324 0.89 KDM1A (0.40) KDM1ARCOR1CYP2C9HDAC3HDAC1
SCHEMBL9061708 0.89 KDM1A (0.40) KDM1ARCOR1CYP2C9HDAC3HDAC1

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-8470199-B2 Five-ring liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-06-25 US disclosed
US-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-03-29 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-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE HTR3D, KIF23, CCND3 KDM1A 821/4885RCOR1 2278/4885CYP2C9 3544/4885

“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.