SCHEMBL8771332

SCHEMBL8771332

CCCC1CCC(c2ccc(-c3cc(F)c(OC=C(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
ESR2 Q92731 3/20 0.35
FFAR4 Q5NUL3 2/20 0.33
DGAT1 O75907 5/20 0.31
SOAT1 P35610 2/20 0.31
CYP3A4 P08684 2/20 0.31
ESR1 P03372 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
SCHEMBL8771324 1.00 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8771419 0.92 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8771423 0.92 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL15460640 0.89 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL13198626 0.87 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL15460628 0.87 ALDH1A1 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8728168 0.86 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL15461036 0.85 CYP2C9 (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL13198623 0.85 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL2741557 0.84 ESR2 (0.42) CYP2C9ESR2FFAR4CYP3A4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9683172-B2 Liquid crystal composition and liquid crystal display including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-20 US disclosed
US-9683172-B2 Liquid crystal composition and liquid crystal display including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-20 US disclosed
US-20160257881-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-09-08 US disclosed
US-20160257881-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-09-08 US disclosed
US-9422477-B2 Liquid crystal compositon and liquid crystal display including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-23 US disclosed
US-9422477-B2 Liquid crystal compositon and liquid crystal display including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-23 US disclosed
US-20160122645-A1 LIQUID CRYSTAL COMPOSITON AND LIQUID CRYSTAL DISPLAY INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-05-05 US disclosed
US-20160122645-A1 LIQUID CRYSTAL COMPOSITON AND LIQUID CRYSTAL DISPLAY INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-05-05 US disclosed
US-7785675-B2 Compound and liquid crystal composition ADEKA CORPORATION (JP) 2010-08-31 US disclosed
US-20090103041-A1 Novel compound and liquid crystal composition ADEKA CORPORATION (JP) 2009-04-23 US disclosed
EP-0799878-A1 Liquid crystal compositions and liquid crystal display elements containing same Shin-Etsu Chemical Co., Ltd. (JP) 1997-10-08 EP 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 (2 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-20160257881-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY INCLUDING THE SAME CLIC4, HCFC1, CALCOCO2 CYP2C9 2971/4885ALDH1A1 2455/4885LMNA 1332/4885
US-20090103041-A1 Novel compound and liquid crystal composition PYM1, H1-0, H1-2 CYP2C9 800/4885ALDH1A1 2016/4885LMNA 190/4885

“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.