SCHEMBL12314616

SCHEMBL12314616

CCCC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
ESR2 Q92731 2/20 0.37
USP5 P45974 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
USP30 Q70CQ3 1/20 0.34
TLR4 O00206 1/20 0.34
HCRTR2 O43614 3/20 0.33
OPRL1 P41146 2/20 0.33
CCR2 P41597 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
SCHEMBL9499838 1.00 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL548067 1.00 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL548069 1.00 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL548068 1.00 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8939465 0.98 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12012972 0.98 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8939463 0.98 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8939457 0.98 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9244635 0.98 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL14525711 0.96 CYP2C9 (0.45) 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 288 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9777219-B2 Liquid crystal compound having tetracycle, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-10-03 US disclosed
US-9777219-B2 Liquid crystal compound having tetracycle, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-10-03 US disclosed
EP-2837670-B1 FLUOROBIPHENYL-CONTAINING COMPOSITION DAINIPPON INK & CHEMICALS (JP) 2017-09-27 EP disclosed
US-20170260453-A1 LIQUID CRYSTAL COMPOUND HAVING TERCYCLOHEXYL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-09-14 US disclosed
US-20170260453-A1 LIQUID CRYSTAL COMPOUND HAVING TERCYCLOHEXYL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-09-14 US disclosed
EP-3216844-A1 LIQUID CRYSTAL COMPOUND HAVING TERCYCLOHEXYL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2017-09-13 EP disclosed
US-20170240809-A1 COMPOUNDS HAVING A DIFLUOROCYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY DEVICES JNC CORPORATION (JP) 2017-08-24 US disclosed
US-20170240809-A1 COMPOUNDS HAVING A DIFLUOROCYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY DEVICES JNC CORPORATION (JP) 2017-08-24 US disclosed
US-20170226420-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2017-08-10 US disclosed
US-20170226420-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2017-08-10 US disclosed
US-20080003381-A1 Overcoat film composition, color filter substrate, and liquid crystal display element CHISSO CORPORATION 2008-01-03 US disclosed
US-20080003381-A1 Overcoat film composition, color filter substrate, and liquid crystal display element CHISSO CORPORATION 2008-01-03 US disclosed
US-20070285959-A1 Memory element and semiconductor device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-12-13 US disclosed
US-20070285959-A1 Memory element and semiconductor device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-12-13 US disclosed
US-7303694-B2 Liquid crystals with reduced toxicity and applications thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-12-04 US disclosed
US-7303694-B2 Liquid crystals with reduced toxicity and applications thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-12-04 US disclosed
US-20070232780-A1 PHOTO-ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2007-10-04 US disclosed
US-20070104895-A1 LIQUID CRYSTAL OPTICAL MODULATION ELEMENT AND OPTICAL HEAD DEVICE ASAHI GLASS COMPANY, LIMITED (JP) 2007-05-10 US disclosed
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 US disclosed
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 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-20170240809-A1 COMPOUNDS HAVING A DIFLUOROCYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY DEVICES OCIAD2, CCDC22, CALCOCO2 CYP2C9 2705/4885ALDH1A1 1952/4885LMNA 3469/4885

“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.