SCHEMBL10043231

SCHEMBL10043231

CCCC1CCC(C2CCC(c3ccc(-c4ccc(C5CCC(CC)CC5)c(F)c4)c(F)c3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.37
OPRL1 P41146 11/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
FASN P49327 1/20 0.33
DGAT1 O75907 1/20 0.33

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
SCHEMBL10043232 0.93 OPRL1 (0.34) CYP2C9OPRL1MAPTCYP3A4ALOX5AP
SCHEMBL10043238 0.92 OPRL1 (0.34) CYP2C9OPRL1MAPTCYP3A4ALOX5AP
SCHEMBL10043234 0.92 CYP2C9 (0.36) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL17552975 0.91 CYP2C9 (0.43) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL16789607 0.91 CYP2C9 (0.43) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL10043083 0.91 CYP2C9 (0.43) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL10043226 0.90 FASN (0.41) CYP2C9OPRL1ALDH1A1CYP3A4ALOX5AP
SCHEMBL12975804 0.90 FASN (0.41) CYP2C9OPRL1ALDH1A1CYP3A4ALOX5AP
SCHEMBL10043211 0.90 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10043242 0.90 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1

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 4 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-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
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 CYP2C9 3544/4885OPRL1 2105/4885ALDH1A1 1115/4885

“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.