SCHEMBL8024512

SCHEMBL8024512

CCCCOc1ccc(C=O)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.53
KDM4E B2RXH2 4/20 0.49
GAA P10253 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 7/20 0.49
ALDH1A3 P47895 2/20 0.49
ALDH3A1 P30838 1/20 0.49
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 3/20 0.44
HPGD P15428 3/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
NPSR1 Q6W5P4 1/20 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
SCHEMBL14195842 0.94 THRA (0.51) FDPSKDM4EGAAMEN1KMT2A
SCHEMBL177168 0.92 FDPS (0.54) FDPSKDM4EGAAMEN1KMT2A
SCHEMBL3923180 0.85 FDPS (0.50) FDPSKDM4EALDH1A1ALDH1A3ALDH3A1
SCHEMBL493460 0.85 ALDH1A1 (0.60) FDPSKDM4EGAAALDH1A1ALDH1A3
SCHEMBL30834674 0.85 FDPS (0.67) FDPSALDH1A1TDP1L3MBTL1MAPT
SCHEMBL2821372 0.85 FDPS (0.67) FDPSALDH1A1TDP1L3MBTL1MAPT
SCHEMBL4959651 0.84 FDPS (0.61) FDPSKDM4EMEN1KMT2AALDH1A1
SCHEMBL29655033 0.84 FDPS (0.61) FDPSKDM4EMEN1KMT2AALDH1A1
SCHEMBL28938242 0.83 FDPS (0.56) FDPSGAAALDH1A1TDP1L3MBTL1
SCHEMBL3923163 0.83 CYP1A2 (0.64) FDPSKDM4EALDH1A1ALDH1A3ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-03-16 US disclosed
CN-102766099-B There is compound and salt, preparation method and the purposes of xanthine oxidase inhibitory activity SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2015-09-23 CN disclosed
EP-1446388-B1 1,2,4-TRIAZOLE DERIVATIVES CONTAINING A SULPHAMATE GROUP AS AROMATASE INHIBITORS STERIX LTD (GB) 2013-01-09 EP disclosed
CN-102766099-A Compound with xanthine oxidase inhibitory activity as well as salt, preparation methods and application thereof UNIV SHENYANG PHARMACEUTICAL 2012-11-07 CN disclosed
US-20110092591-A1 PHENYL-PRENYL DERIVATIVES, OF MARINE AND SYNTHETIC ORIGIN, FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA S.A. (ES) 2011-04-21 US disclosed
US-7745472-B2 Compound STERIX LIMITED (GB) 2010-06-29 US disclosed
WO-2009098287-A1 PHENYL-PRENYL DERIVATIVES, OF MARINE AND SYNTHETIC ORIGIN, FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA S.A. (ES) 2009-08-13 WO disclosed
US-20090111862-A1 Compound RICHTER GEDEON NYRT. (HU) 2009-04-30 US disclosed
US-7361677-B2 Polycyclic sulphamate compounds suitable for use as inhibitors of aromatase and/or sulphatase STERIX, LTD. (GB) 2008-04-22 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 (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-20090111862-A1 Compound QPCT, SQOR, SDHA FDPS 13/4885KDM4E 257/4885GAA 3866/4885
US-20110092591-A1 PHENYL-PRENYL DERIVATIVES, OF MARINE AND SYNTHETIC ORIGIN, FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS PSEN1, PARK7, APP FDPS 21/4885KDM4E 3491/4885GAA 356/4885
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 FDPS 1801/4885KDM4E 1757/4885GAA 357/4885

“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.