SCHEMBL2205822

SCHEMBL2205822

O=C1c2ccccc2C(=O)C(O)C(O)C(O)C1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.56
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
HTR2B P41595 1/20 0.46
HBB P68871 2/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PIM1 P11309 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RET P07949 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL6081753 0.89 MEN1 (0.55) S100A4MEN1KMT2APOLBMAPT
SCHEMBL30665368 0.78 MEN1 (0.55) S100A4MEN1KMT2APOLBMAPT
SCHEMBL10344203 0.78 MEN1 (0.55) S100A4MEN1KMT2APOLBMAPT
SCHEMBL3994733 0.75 CYP2D6 (0.55) S100A4MEN1KMT2APOLBMAPT
SCHEMBL22939433 0.73 LMNA (0.36) LMNA
SCHEMBL2599340 0.72 S100A4 (1.00) S100A4MEN1KMT2APOLBMAPT
SCHEMBL31237472 0.72 S100A4 (1.00) S100A4MEN1KMT2APOLBMAPT
SCHEMBL22272447 0.71 MEN1 (0.42) S100A4MEN1KMT2APOLBMAPT
SCHEMBL5902891 0.69 ACHE (0.55) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL2838579 0.69 RET (0.58) MEN1KMT2APOLBMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117065576-A Gas-water separation membrane framework, normal pressure VOCs self-breathing gas proton separation membrane and application thereof 辽宁东德恩环保科技有限公司 2023-11-17 CN claimed
US-9034482-B2 Organic electroluminescent element MERCK PATENT GMBH (DE) 2015-05-19 US claimed
US-7981522-B2 Organic electroluminescent element MERCK PATENT GMBH (DE) 2011-07-19 US claimed
US-7776455-B2 Organic electronic devices MERCK PATENT GMBH (DE) 2010-08-17 US claimed
EP-1668718-B1 ORGANIC ELECTROLUMINESCENT ELEMENT MERCK PATENT GMBH (DE) 2009-03-25 EP claimed
US-20070170419-A1 Organic electronic devices MERCK PATENT GMBH (DE) 2007-07-26 US claimed
US-20070134510-A1 Organic electroluminescent element MERCK PATENT GMBH (DE) 2007-06-14 US claimed
US-20070037010-A1 Organic electroluminescent element MERCK PATENT GMBH (DE) 2007-02-15 US claimed
US-20030111956-A1 Heterarylbenzene compounds ACADEMIA SINICA, A TAIWAN RESEARCH INSTITUTION 2003-06-19 US claimed
US-20020115870-A1 Heterarylbenzene compounds ACADEMIA SINICA (TW) 2002-08-22 US claimed
CN-117065576-A Gas-water separation membrane framework, normal pressure VOCs self-breathing gas proton separation membrane and application thereof 辽宁东德恩环保科技有限公司 2023-11-17 CN disclosed
CN-108752249-B Space conjugated organic molecule based on hexaarylbenzene skeleton and preparation and application thereof 华南理工大学 2020-06-19 CN disclosed
CN-108752249-B Space conjugated organic molecule based on hexaarylbenzene skeleton and preparation and application thereof 华南理工大学 2020-06-19 CN disclosed
CN-108752249-B Space conjugated organic molecule based on hexaarylbenzene skeleton and preparation and application thereof 华南理工大学 2020-06-19 CN disclosed
US-10061196-B2 Photosensitive composition, method for producing cured film, cured film, touch panel, and display device FUJIFILM CORPORATION (JP) 2018-08-28 US disclosed
US-20030111956-A1 Heterarylbenzene compounds ACADEMIA SINICA, A TAIWAN RESEARCH INSTITUTION 2003-06-19 US disclosed
US-6512122-B2 Reacting a hexahalobenzene with a furan, thiophene, pyrrole, or cyclopropyl metallic derivative; hole transporting, green-light-emitting molecules ACADEMIA SINICA (TW) 2003-01-28 US disclosed
US-20020115870-A1 Heterarylbenzene compounds ACADEMIA SINICA (TW) 2002-08-22 US disclosed
US-5723573-A ACETYLENIC END GROUPS HITACHI CHEMICAL COMPANY, LTD. (JP) 1998-03-03 US disclosed
WO-1992017516-A1 PROCESS FOR CURING POLYQUINOLINE POLYMERS AND COMPOSITIONS THEREOF MAXDEM INCORPORATED (US) 1992-10-15 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 (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-20030111956-A1 Heterarylbenzene compounds CYP8B1, CBR1, CBR3 S100A4 4472/4885MEN1 2459/4885KMT2A 1478/4885
US-20020115870-A1 Heterarylbenzene compounds CYP8B1, CBR1, CBR3 S100A4 4472/4885MEN1 2459/4885KMT2A 1478/4885

“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.