SCHEMBL7786808

SCHEMBL7786808

CCCCCc1ccc(-c2cccc(F)c2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
RARB P10826 8/20 0.50
HSD11B1 P28845 3/20 0.48
HTR2A P28223 1/20 0.47
RARA P10276 2/20 0.47
RARG P13631 1/20 0.47
PLK1 P53350 1/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
ESR1 P03372 2/20 0.43
ADRA2A P08913 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
TACR2 P21452 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43

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
SCHEMBL9496656 0.98 RARB (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9497689 0.98 RARB (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9563700 0.98 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9497766 0.98 RARB (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7790562 0.98 RARB (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7788958 0.98 RARB (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8987882 0.98 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9493571 0.97 RARB (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9563877 0.97 RARB (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9563803 0.97 RARB (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6

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-8652353-B2 Liquid crystal carbonate and liquid crystal medium containing the same with positive or negative dielectric anisotropy WOJSKOWA AKADEMIA TECHNICZNA (PL) 2014-02-18 US disclosed
US-20130020532-A1 Liquid crystal carbonate and liquid crystal medium containing the same with positive or negative dielectric anisotropy WOJSKOWA AKADEMIA TECHNICZNA (PL) 2013-01-24 US disclosed
EP-1144546-A3 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2002-08-28 EP disclosed
EP-1144546-A2 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2001-10-17 EP disclosed
WO-2000004111-A2 FLUORINATED TERPHENYLS THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-01-27 WO disclosed
EP-0501268-B1 Liquid crystal compounds ending with a 1-alkinyl group HOFFMANN LA ROCHE (CH) 1996-06-12 EP disclosed
EP-0363458-B1 2,3-DIFLUOROBENZENES MERCK PATENT GMBH (DE) 1994-08-03 EP disclosed
EP-0373191-B1 HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES MERCK PATENT GMBH (DE) 1994-07-13 EP disclosed
US-5328637-A Electrooptical devices; deformation of aligned phases and supertwisted nematic applications; miscibility, solubility HOFFMANN-LA ROCHE INC. (US) 1994-07-12 US disclosed
US-5273680-A A chiral tilted smectic liquid crystal based on terphenyls MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-12-28 US disclosed
EP-0329752-B1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1993-03-17 EP disclosed
EP-0501268-A2 Liquid crystal compounds ending with a 1-alkinyl group F. HOFFMANN-LA ROCHE AG (CH) 1992-09-02 EP disclosed
US-5087764-A Deprotonation of a 1-substituted-2,3-difluorobenzene using an organometallic compound and reacting the reaction product with an electrophile Merck Patent Gesellschaft mit beschrankter Hafung (DE) 1992-02-11 US disclosed
EP-0373191-A1 HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES. MERCK PATENT GMBH (DE) 1990-06-20 EP disclosed
EP-0363458-A1 2,3-DIFLUOROBENZENES. MERCK PATENT GMBH (DE) 1990-04-18 EP disclosed
WO-1989008629-A1 PROCESS FOR PREPARING 2,3-DIFLUOROBENZENES 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
EP-0332024-A1 Heterocyclic derivatives of 1,2-difluorobenzene MERCK PATENT GmbH (DE) 1989-09-13 EP disclosed
EP-0329752-A1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1989-08-30 EP disclosed
WO-1989002425-A1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-03-23 WO 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-20130020532-A1 Liquid crystal carbonate and liquid crystal medium containing the same with positive or negative dielectric anisotropy HCN2, HCN3, HCN1 HDAC3 695/4885HDAC1 2080/4885HDAC2 1444/4885

“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.