SCHEMBL1243882

SCHEMBL1243882

CCOc1ccc(C2CCC(=O)CC2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM1A O60341 2/20 0.35
PDE4A P27815 3/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE10A Q9Y233 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR2A P28223 1/20 0.33
ESR2 Q92731 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 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
SCHEMBL2506935 0.94 HCRTR2 (0.36) HCRTR2ALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL11894647 0.92 HCRTR2 (0.36) HCRTR2ALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL11894645 0.92 HCRTR2 (0.36) HCRTR2ALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL425191 0.89 SCN9A (0.40) ALDH1A1CYP1A2MAPTCYP2C9CYP2C19
Ethylene SCHEMBL5076561 0.89 HCRTR2 (0.33) HCRTR2ALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL14922531 0.87 KDM1A (0.41) HCRTR2ALDH1A1CYP1A2MAPTCYP2C19
SCHEMBL2506385 0.86 PTPN1 (0.37) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7787604 0.85 KDM1A (0.35) HCRTR2ALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL28677635 0.84 PDE4A (0.35) HCRTR2ALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL30209607 0.84 PDE4A (0.35) HCRTR2ALDH1A1CYP1A2MAPTCYP2C9

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107573212-B Synthesis method of trans-4-alkyl cyclohexyl benzene structure liquid crystal intermediate and monomer 宁夏中星显示材料有限公司 2020-08-04 CN disclosed
EP-2479162-B1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2016-10-26 EP disclosed
EP-2479162-B1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2016-10-26 EP disclosed
US-9109157-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition and liquid crystal display device using the same JNC CORPORATION (JP) 2015-08-18 US disclosed
EP-2305627-B1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2014-09-17 EP disclosed
EP-2266941-B1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2014-03-05 EP disclosed
US-8580147-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-8580146-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-8580146-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 WO disclosed
WO-2009125668-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE チッソ株式会社 (JP) 2009-10-15 WO disclosed
EP-1362839-B1 Liquid crystal composition having a positive delta-epsilon and liquid crystal display device CHISSO CORP (JP) 2008-08-13 EP disclosed
US-7081279-B2 Alkenyl compound having a negative Δε value, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2006-07-25 US disclosed
US-20040065866-A1 Alkenyl compound having a negative delta epsilon value, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2004-04-08 US disclosed
US-6692657-B1 ALKENYL COMPOUND WITH 2,3-DIFLUOROPHENYL GROUP CHISSO CORPORATION (JP) 2004-02-17 US disclosed
EP-1362839-A2 Liquid crystal composition having a delta-epsilon- of not less than zero and liquid crystal display device CHISSO CORPORATION (JP) 2003-11-19 EP disclosed
EP-0969071-B1 Alkenyl compound having a negative delta epsilon value, liquid crystal composition and liquid crystal display device CHISSO CORP (JP) 2003-11-05 EP disclosed
US-6475595-B1 ELECTROOPTICS MERCK GMBH (DE) 2002-11-05 US disclosed
EP-0969071-A1 Alkenyl compound having a negative delta epsilon value, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2000-01-05 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 (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-20040065866-A1 Alkenyl compound having a negative delta epsilon value, liquid crystal composition, and liquid crystal display device CTNND1, CCT4, DLK1 HCRTR2 4280/4885ALDH1A1 1284/4885CYP1A2 4093/4885

“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.