SCHEMBL1776407

SCHEMBL1776407

Brc1cc(-c2cccc3ccccc23)c(Br)cc1-c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALPL P05186 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 4/20 0.42
TSHR P16473 3/20 0.42
HIF1A Q16665 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
CYP2A6 P11509 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1B1 Q16678 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL13319558 0.93 KDM4E (0.43) HKDC1KDM4EALPLGAAALDH1A1
SCHEMBL29541178 0.91 ALDH1A1 (0.45) HKDC1KDM4EALPLGAAALDH1A1
SCHEMBL20296878 0.91 ALDH1A1 (0.45) HKDC1KDM4EALPLGAAALDH1A1
SCHEMBL24860531 0.86 AKR1C3 (0.42) HKDC1KDM4EALPLGAAALDH1A1
SCHEMBL29634644 0.84 ALDH1A1 (0.46) KDM4EALPLGAAALDH1A1HSD17B10
SCHEMBL365314 0.84 ALDH1A1 (0.46) KDM4EALPLGAAALDH1A1HSD17B10
SCHEMBL24870967 0.84 PTPRC (0.46) KDM4EALPLGAAALDH1A1HSD17B10
SCHEMBL25302086 0.83 ALDH1A1 (0.59) KDM4EALPLGAAALDH1A1HSD17B10
SCHEMBL29350007 0.83 ALDH1A1 (0.59) KDM4EALPLGAAALDH1A1HSD17B10
SCHEMBL27953 0.83 ALDH1A1 (0.59) KDM4EALPLGAAALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8465678-B2 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-06-18 US disclosed
US-8198096-B2 Sensor for detection of chemical warfare agents and explosives; polyacetylenes, polyarylenevinylenes; polymers contain hexafluoroisopropanol substituent MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-06-12 US disclosed
US-20110175035-A1 EMISSIVE POLYMERS AND DEVICES INCORPORATING THESE POLYMERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-07-21 US disclosed
US-7943062-B2 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-05-17 US disclosed
US-20100213451-A1 EMISSIVE POLYMERS AND DEVICES INCORPORATING THESE POLYMERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-08-26 US disclosed
US-20100137617-A1 METHOD FOR PRODUCING AROMATIC COMPOUND NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-06-03 US disclosed
US-7662309-B2 increased luminescent lifetimes, quantum yields and amplified emissions; polyacetylenes, polyarylenevinylenes; use in field effect transistors, detection of chemical warfare agents and explosives; solvent resistance, heat resistance MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-02-16 US disclosed
EP-1281744-B1 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INST TECHNOLOGY (US) 2008-09-24 EP disclosed
US-7393503-B2 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-07-01 US disclosed
WO-2008039529-A1 EMISSIVE POLYMERS AND DEVICES INCORPORATING THESE POLYMERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-04-03 WO disclosed
US-7208122-B2 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-04-24 US disclosed
US-20070081921-A1 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-04-12 US disclosed
US-20060120917-A1 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2006-06-08 US disclosed
US-20060120923-A1 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2006-06-08 US disclosed
EP-1080162-B1 EMISSIVE POLYMERS AND DEVICES INCORPORATING THESE POLYMERS MASSACHUSETTS INST TECHNOLOGY (US) 2004-03-10 EP disclosed
US-20030178607-A1 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2003-09-25 US disclosed
EP-1281744-A2 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2003-02-05 EP disclosed
EP-1080162-A1 EMISSIVE POLYMERS AND DEVICES INCORPORATING THESE POLYMERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-03-07 EP disclosed
WO-1999057222-A1 EMISSIVE POLYMERS AND DEVICES INCORPORATING THESE POLYMERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1999-11-11 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-20100137617-A1 METHOD FOR PRODUCING AROMATIC COMPOUND SCLY, TYR, CBS HKDC1 2956/4885KDM4E 3311/4885ALPL 3506/4885

“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.