SCHEMBL641639

SCHEMBL641639

O=c1c2cccc3c4cccc5c(=O)c6cccc7c8cccc1c8c(c23)c(c54)c67

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAOA P21397 4/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
CYP3A4 P08684 1/20 0.42
PGAM1 P18669 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39
MCL1 Q07820 1/20 0.38
MAP1LC3B Q9GZQ8 1/20 0.35

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
SCHEMBL29890182 0.88 ALDH1A1 (0.44) ALDH1A1MAOAHPGDKDM4EGLA
SCHEMBL7596891 0.88 ALDH1A1 (0.44) ALDH1A1MAOAHPGDKDM4EGLA
SCHEMBL29733623 0.83 CYP1A2 (0.50) ALDH1A1MAOAHPGDKDM4EHSD17B10
SCHEMBL2537974 0.83 CYP1A2 (0.50) ALDH1A1MAOAHPGDKDM4EHSD17B10
SCHEMBL30092831 0.83 CYP1A2 (0.50) ALDH1A1MAOAHPGDKDM4EHSD17B10
SCHEMBL2537894 0.83 CYP1A2 (0.50) ALDH1A1MAOAHPGDKDM4EHSD17B10
SCHEMBL20668937 0.79 ALDH1A1 (0.46) ALDH1A1MAOAHPGDKDM4EGLA
SCHEMBL12340285 0.79 MCL1 (0.36) ALDH1A1MAOAHPGDKDM4EGLA
SCHEMBL20668933 0.78 S100A4 (0.42) ALDH1A1MAOAHPGDKDM4EGLA
SCHEMBL22109147 0.78 S100A4 (0.42) ALDH1A1MAOAHPGDKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101925367-B targeted radiation therapy 鲁汶天主教大学 2017-05-31 CN claimed
US-8741262-B2 Targeted radiotherapy KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-06-03 US claimed
EP-2219683-B1 TARGETED RADIOTHERAPY UNIV LEUVEN KATH (BE) 2012-05-30 EP claimed
US-20110038795-A1 TARGETED RADIOTHERAPY KATHOLIEKE UNIVERSITEIT LEUVEN K.U.LEUVEN R&D (BE) 2011-02-17 US claimed
CN-101925367-A targeted radiation therapy UNIV LEUVEN KATH 2010-12-22 CN claimed
EP-2219683-A2 TARGETED RADIOTHERAPY Katholieke Universiteit Leuven (BE) 2010-08-25 EP claimed
US-20090274622-A1 NECROSIS AVID TRACER AGENT K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2009-11-05 US claimed
WO-2009067767-A2 TARGETED RADIOTHERAPY KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2009-06-04 WO claimed
EP-1651201-B1 NECROSIS AVID TRACER AGENT LEUVEN K U RES & DEV (BE) 2008-01-02 EP claimed
US-20070122340-A1 Necrosis avid tracer agent K.U. LEUVEN RESEARCH AND DEVELOPMENT (BE) 2007-05-31 US claimed
EP-4414354-A2 SYSTEMS AND METHODS FOR PRODUCING SYNTHETIC HYPERICIN Soligenix, Inc. (US) 2024-08-14 EP disclosed
EP-3423428-B1 SYSTEMS AND METHODS FOR PRODUCING SYNTHETIC HYPERICIN SOLIGENIX INC (US) 2024-07-24 EP disclosed
US-20190135724-A1 Systems And Methods For Producing Synthetic Hypericin SOLIGENIX, INC. 2019-05-09 US disclosed
EP-3423428-A1 SYSTEMS AND METHODS FOR PRODUCING SYNTHETIC HYPERICIN Soligenix, Inc. (US) 2019-01-09 EP disclosed
US-20180289670-A1 COMBINATION OF LBH589 WITH OTHER THERAPEUTIC AGENTS FOR TREATING CANCER NOVARTIS AG (CH) 2018-10-11 US disclosed
US-20070122340-A1 Necrosis avid tracer agent K.U. LEUVEN RESEARCH AND DEVELOPMENT (BE) 2007-05-31 US disclosed
EP-1651201-A1 NECROSIS AVID TRACER AGENT K.U.Leuven Research & Development (BE) 2006-05-03 EP disclosed
EP-1651201-A1 NECROSIS AVID TRACER AGENT K.U.Leuven Research & Development (BE) 2006-05-03 EP disclosed
WO-2005009423-A1 NECROSIS AVID TRACER AGENT K.U.LEUVEN RESEARCH AND DEVELOPMENT (BE) 2005-02-03 WO disclosed
WO-2005009423-A1 NECROSIS AVID TRACER AGENT K.U.LEUVEN RESEARCH AND DEVELOPMENT (BE) 2005-02-03 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-20180289670-A1 COMBINATION OF LBH589 WITH OTHER THERAPEUTIC AGENTS FOR TREATING CANCER MCL1, BAD, LPXN ALDH1A1 869/4885MAOA 2165/4885HPGD 496/4885

“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.