SCHEMBL1243985

SCHEMBL1243985

CCOc1ccc(C2CCC3(CC2)OCCO3)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.38
ALDH1A1 P00352 3/20 0.38
TRPV3 Q8NET8 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM1A O60341 2/20 0.33
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FPR2 P25090 2/20 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
SCHEMBL2509026 0.95 PDE10A (0.38) PDE10AALDH1A1TRPV3MEN1KMT2A
SCHEMBL4861841 0.92 ALDH1A1 (0.35) PDE10AALDH1A1TRPV3MEN1KMT2A
SCHEMBL424339 0.90 GPR119 (0.36) PDE10AALDH1A1TRPV3TSHRCHRM1
SCHEMBL10010236 0.88 GPR119 (0.37) PDE10AALDH1A1TRPV3MEN1KMT2A
SCHEMBL11894480 0.86 TRPV3 (0.33) PDE10AALDH1A1TRPV3
SCHEMBL30209606 0.86 PDE10A (0.35) PDE10AALDH1A1TRPV3MEN1KMT2A
SCHEMBL2883439 0.83 ALDH1A1 (0.33) PDE10AALDH1A1TRPV3MEN1KMT2A
SCHEMBL14922515 0.83 GPR119 (0.34) PDE10AALDH1A1TSHRGPR119MAPT
SCHEMBL18712372 0.83 KDM1A (0.35) ALDH1A1TRPV3HTTKDM1ACHRM4
SCHEMBL14922531 0.82 KDM1A (0.41) ALDH1A1LMNATSHRHTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-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-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-08-02 US disclosed
US-20120190897-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME JNC PETROCHEMICAL CORPORATION (JP) 2012-07-26 US disclosed
US-20120190897-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME JNC PETROCHEMICAL CORPORATION (JP) 2012-07-26 US disclosed
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 US disclosed
EP-2266941-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2010-12-29 EP 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
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 (4 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-20120190897-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME H1-0, EFHD2, CCND2 PDE10A 2318/4885ALDH1A1 654/4885TRPV3 1157/4885
US-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 PDE10A 1946/4885ALDH1A1 4082/4885TRPV3 5/4885
US-20040065866-A1 Alkenyl compound having a negative delta epsilon value, liquid crystal composition, and liquid crystal display device CTNND1, CCT4, DLK1 PDE10A 2804/4885ALDH1A1 1284/4885TRPV3 890/4885
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 PDE10A 3373/4885ALDH1A1 1806/4885TRPV3 328/4885

“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.