SCHEMBL6449465

SCHEMBL6449465

COc1ccc(Br)c(-c2cc(OC)ccc2Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA12 O43570 2/20 0.48
CA14 Q9ULX7 2/20 0.48
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
RAB9A P51151 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
APP P05067 1/20 0.47
SNCA P37840 1/20 0.47

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
SCHEMBL7777307 0.87 ABL1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL1134723 0.84 CA1 (0.53) CA1CA2CA7CA9CA12
SCHEMBL30250475 0.84 CA1 (0.53) CA1CA2CA7CA9CA12
SCHEMBL2722749 0.83 PTPN1 (0.53) ALDH1A1MEN1MAPTKMT2ACYP1A2
SCHEMBL30610973 0.83 HDAC3 (0.51) MEN1MAPTKMT2ACYP1A2RAB9A
SCHEMBL31449884 0.83 MEN1 (0.47) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL14127541 0.83 CA12 (0.62) CA1CA2CA7CA9CA12
SCHEMBL167090 0.83 CA12 (0.62) CA1CA2CA7CA9CA12
SCHEMBL29558143 0.83 CA12 (0.62) CA1CA2CA7CA9CA12
SCHEMBL12325065 0.82 CA1 (0.50) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835274-B1 PROCESS FOR MAKING HYDROXY-SUBSTITUTED ETHYNYLATED BIPHENYLS ALLIED SIGNAL INC (US) 2000-04-26 EP claimed
EP-0835274-A1 HYDROXY-SUBSTITUTED ETHYNYLATED BIPHENYLS AlliedSignal Inc. (US) 1998-04-15 EP claimed
WO-1997001594-A1 HYDROXY-SUBSTITUTED ETHYNYLATED BIPHENYLS ALLIEDSIGNAL INC. (US) 1997-01-16 WO claimed
WO-2013009032-A2 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 (KR) 2013-01-17 WO disclosed
US-8044218-B2 Chalcogen-containing fused polycyclic organic material and method for producing same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-10-25 US disclosed
US-20070117973-A1 Chalcogen-containing fused polycyclic organic material and method for producing same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-05-24 US disclosed
US-20050148570-A1 Novel substituted alkane compounds and uses thereof HUANG LIREN (US) 2005-07-07 US disclosed
EP-0835275-B1 IMPROVED POLY(ARYLENE ETHER) COMPOSITIONS AND THE METHOD FOR THEIR MANUFACTURE ALLIED SIGNAL INC (US) 2002-04-03 EP disclosed
US-RE37599-E1 FROM PERFLUOROBENZENE OR FLUORINATED BENZENE POLYMERS AND AROMATIC DIOLS; USE IN COATING MICROELECTRONIC STRUCTURES, SUCH AS INTEGRATED CIRCUITS; LOW DIELECTRIC CONSTANT, LOW MOISTURE ABSORPTION, AND HIGH THERMAL STABILITY. ALLIEDSIGNAL INC. 2002-03-19 US disclosed
EP-0835274-B1 PROCESS FOR MAKING HYDROXY-SUBSTITUTED ETHYNYLATED BIPHENYLS ALLIED SIGNAL INC (US) 2000-04-26 EP disclosed
US-5986045-A REACTION OF HALOARYLENE COMPOUND WITH DIPHENOL COMPOUND TO FORM POLYARYLENE ETHER ALLIEDSIGNAL INC. (US) 1999-11-16 US disclosed
US-5959157-A Process for making hydroxy-substituted ethynylated biphenyl compounds ALLIEDSIGNAL, INC. (US) 1999-09-28 US disclosed
EP-0835275-A1 IMPROVED POLY(ARYLENE ETHER) COMPOSITIONS AND THE METHOD FOR THEIR MANUFACTURE AlliedSignal Inc. (US) 1998-04-15 EP disclosed
EP-0835274-A1 HYDROXY-SUBSTITUTED ETHYNYLATED BIPHENYLS AlliedSignal Inc. (US) 1998-04-15 EP disclosed
EP-0553346-B1 PHOTOGRAPHIC PRODUCTS AND PROCESSES POLAROID CORP (US) 1998-01-28 EP disclosed
WO-1997001594-A1 HYDROXY-SUBSTITUTED ETHYNYLATED BIPHENYLS ALLIEDSIGNAL INC. (US) 1997-01-16 WO disclosed
WO-1997001593-A1 IMPROVED POLY(ARYLENE ETHER) COMPOSITIONS AND THE METHOD FOR THEIR MANUFACTURE ALLIEDSIGNAL INC. (US) 1997-01-16 WO disclosed
US-5294375-A Thermochromic materials POLAROID CORPORATION (US) 1994-03-15 US disclosed
WO-1993004403-A1 PHOTOGRAPHIC PRODUCTS AND PROCESSES POLAROID CORPORATION (US) 1993-03-04 WO disclosed
US-4898802-A Toner compositions with organo boron negative charge enhancing additives XEROX CORPORATION (US) 1990-02-06 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-20050148570-A1 Novel substituted alkane compounds and uses thereof ALK, CYP11B2, ALKBH2 CA1 2184/4885CA2 2113/4885CA7 399/4885
US-20070117973-A1 Chalcogen-containing fused polycyclic organic material and method for producing same SLC43A1, OCIAD2, SLC22A8 CA1 634/4885CA2 218/4885CA7 170/4885

“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.