SCHEMBL811440

SCHEMBL811440

O=C(OCCCCOC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
BCHE P06276 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 2/20 0.55
RAB9A P51151 1/20 0.55
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
PARP1 P09874 1/20 0.52
KDM4E B2RXH2 2/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
USP2 O75604 1/20 0.48
ALOX15 P16050 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 2/20 0.47
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
KMT2A Q03164 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
SCHEMBL810857 0.98 TDP1 (0.59) TDP1BCHEL3MBTL1ALDH1A1RAB9A
SCHEMBL3655402 0.94 TDP1 (0.54) TDP1BCHEL3MBTL1ALDH1A1RAB9A
SCHEMBL810821 0.93 L3MBTL1 (0.57) TDP1BCHEL3MBTL1ALDH1A1RAB9A
SCHEMBL6057136 0.92 LMNA (0.56) TDP1ALDH1A1RAB9AESR1HPGD
SCHEMBL4592142 0.92 TDP1 (0.53) TDP1BCHEL3MBTL1ALDH1A1RAB9A
SCHEMBL28807886 0.91 LMNA (0.58) TDP1ALDH1A1RAB9AESR1
SCHEMBL30692290 0.91 LMNA (0.58) TDP1ALDH1A1RAB9AESR1
SCHEMBL6057231 0.91 LMNA (0.58) TDP1ALDH1A1RAB9AESR1
SCHEMBL28437780 0.91 LMNA (0.58) TDP1ALDH1A1RAB9AESR1
SCHEMBL198523 0.90 ESR1 (0.59) TDP1L3MBTL1ALDH1A1RAB9ACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2390241-B1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-10-01 EP disclosed
US-8598349-B2 Method for manufacturing conjugated aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-03 US disclosed
EP-2390241-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-11-30 EP disclosed
US-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2011-11-10 US disclosed
US-20110256790-A1 THERMAL INSULATION CONTAINING SUPPLEMENTAL INFRARED RADIATION ABSORBING MATERIAL SAINT-GOBAIN ISOVER (FR) 2011-10-20 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 (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-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND C9, H1-10, CYP1A1 TDP1 4003/4885BCHE 2120/4885L3MBTL1 602/4885

“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.