SCHEMBL4813397

SCHEMBL4813397

CCCCCCCCCOc1ccc(-c2ncc(CCCCCCCCC)cn2)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.44
MAPT P10636 4/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.36
STAT3 P40763 1/20 0.36
ATM Q13315 1/20 0.36
HTT P42858 2/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL9346759 1.00 RARB (0.44) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9343393 1.00 RARB (0.44) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL8992393 1.00 RARB (0.44) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9345797 1.00 RARB (0.44) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9346808 1.00 RARB (0.44) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9343386 1.00 RARB (0.44) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9346749 1.00 RARB (0.44) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9341889 1.00 RARB (0.44) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL4811839 1.00 RARB (0.44) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9405689 1.00 RARB (0.44) RARBMAPTRAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399505-B2 Fluorinated phenanthrenes and their use in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2008-07-15 US disclosed
US-7297378-B2 Fluorinated fused aromatics and their use in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2007-11-20 US disclosed
US-7282246-B2 Fluorinated xanthenes and use thereof in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2007-10-16 US disclosed
US-7255900-B2 Fluorinated heterocycles and their use in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2007-08-14 US disclosed
US-7195719-B1 High polarization ferroelectric liquid crystal compositions DISPLAYTECH, INC. (US) 2007-03-27 US disclosed
US-7026021-B2 Fluorinated heterocycles and their use in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2006-04-11 US disclosed
US-7018685-B2 Fluorinated aromatic compounds and the use of the same in liquid crystal mixtures MERCK PATENT GMBH (DE) 2006-03-28 US disclosed
US-20050274929-A1 Fluorinated xanthenes and use thereof in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2005-12-15 US disclosed
US-20050258400-A1 Fluorinated phenanthrenes and their use in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2005-11-24 US disclosed
US-20050258399-A1 Fluorinated heterocycles and their use in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2005-11-24 US disclosed
WO-1990013611-A2 OPTICALLY ACTIVE COMPOUNDS AND LIQUID CRYSTAL PHASE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-11-15 WO disclosed
EP-0373191-A1 HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES. MERCK PATENT GMBH (DE) 1990-06-20 EP disclosed
EP-0362317-A1 SMECTIC LIQUID CRYSTAL MEDIUM MERCK PATENT GmbH (DE) 1990-04-11 EP disclosed
EP-0357739-A1 CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENE MERCK PATENT GmbH (DE) 1990-03-14 EP disclosed
WO-1989008690-A1 SMECTIC LIQUID CRYSTAL MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
WO-1989008649-A1 HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
WO-1989008639-A1 CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
EP-0332024-A1 Heterocyclic derivatives of 1,2-difluorobenzene MERCK PATENT GmbH (DE) 1989-09-13 EP disclosed
EP-0332025-A1 Chiral derivatives of 1,2-difluorobenzenes MERCK PATENT GmbH (DE) 1989-09-13 EP disclosed
EP-0332006-A1 Smectic liquid-crystal composition MERCK PATENT GmbH (DE) 1989-09-13 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 (3 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-20050274929-A1 Fluorinated xanthenes and use thereof in liquid-crystal mixtures CHRM1, HAX1, CHRM2 RARB 1995/4885MAPT 3543/4885RAB9A 1554/4885
US-20050258400-A1 Fluorinated phenanthrenes and their use in liquid-crystal mixtures CHRM1, AFF1, F2 RARB 2801/4885MAPT 3438/4885RAB9A 3039/4885
US-20050258399-A1 Fluorinated heterocycles and their use in liquid-crystal mixtures CHRM1, AFF1, H1-0 RARB 2236/4885MAPT 3564/4885RAB9A 1664/4885

“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.