SCHEMBL1243493

SCHEMBL1243493

CCOc1ccc(C2(O)CCC3(CC2)OCCO3)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE10A Q9Y233 1/20 0.34
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HPGD P15428 1/20 0.32
PDK2 Q15119 1/20 0.31
TRPV3 Q8NET8 1/20 0.30
KDM1A O60341 2/20 0.30
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
S1PR5 Q9H228 2/20 0.30
S1PR1 P21453 1/20 0.30

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
SCHEMBL2507025 0.95 ALDH1A1 (0.38) ALDH1A1HSD17B10TSHRLMNAMEN1
SCHEMBL425880 0.90 S1PR5 (0.38) ALDH1A1TSHRLMNAHTTPDE10A
SCHEMBL2211908 0.89 ALDH1A1 (0.37) ALDH1A1HSD17B10TSHRLMNAMEN1
SCHEMBL2878291 0.80 ALDH1A1 (0.35) ALDH1A1HSD17B10TSHRLMNAMEN1
SCHEMBL426306 0.80 GPR119 (0.35) ALDH1A1TSHRTRPV3USP2MAPT
SCHEMBL10091332 0.79 PDE10A (0.32) ALDH1A1PDE10AMAPT
SCHEMBL22161982 0.75 SSTR5 (0.41) ALDH1A1HSD17B10TSHRLMNAMEN1
SCHEMBL14765744 0.75 PDK2 (0.36) ALDH1A1LMNAMEN1KMT2ACYP2C9
SCHEMBL1013733 0.74 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRLMNAMEN1
SCHEMBL2211595 0.74 LMNA (0.32) ALDH1A1LMNAMEN1KMT2AKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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
EP-1852429-B1 Hexahydro dibenzofuran derivatives MERCK PATENT GMBH (DE) 2010-09-15 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
US-7417157-B2 Hexahydrodibenzofuran derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-08-26 US disclosed
US-7417157-B2 Hexahydrodibenzofuran derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-08-26 US disclosed
EP-1852429-A1 Hexahydro dibenzofuran derivatives Merck Patent GmbH (DE) 2007-11-07 EP disclosed
US-20070247585-A1 Hexahydrodibenzofuran derivatives MERCK PATENT GMBH 2007-10-25 US disclosed
US-20070247585-A1 Hexahydrodibenzofuran derivatives MERCK PATENT GMBH 2007-10-25 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 (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-20070247585-A1 Hexahydrodibenzofuran derivatives HEXD, CFD, EDF1 ALDH1A1 101/4885HSD17B10 790/4885TSHR 3821/4885
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 ALDH1A1 1806/4885HSD17B10 2574/4885TSHR 2276/4885

“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.