SCHEMBL12735993

SCHEMBL12735993

COOCc1cc(Br)c(CC(=O)OC)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.43
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
GAA P10253 3/20 0.40
GLA P06280 2/20 0.40
EGFR P00533 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 3/20 0.35
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT1 P17948 1/20 0.35
FGFR3 P22607 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
SCHEMBL13447477 0.82 HSP90AB1 (0.48) HSP90AB1KDM4EALDH1A1GAAGLA
SCHEMBL9990598 0.76 MTNR1A (0.60) MTNR1AMTNR1BSMN1; SMN2KMT2APOLB
SCHEMBL8881028 0.75 ALDH1A1 (0.51) HSP90AB1KDM4EALDH1A1GAAGLA
SCHEMBL1643944 0.75 EGFR (0.55) HSP90AB1KDM4EALDH1A1GAAGLA
SCHEMBL22800077 0.73 HSP90AB1 (0.43) HSP90AB1KDM4EALDH1A1GAAGLA
SCHEMBL26036108 0.73 PDGFRB (0.40) HSP90AB1KDM4EALDH1A1GAAGLA
SCHEMBL5954084 0.72 HPGD (0.42) HSP90AB1KDM4EALDH1A1GAAGLA
SCHEMBL30106457 0.72 HPGD (0.42) HSP90AB1KDM4EALDH1A1GAAGLA
SCHEMBL249182 0.72 PDGFRB (0.42) HSP90AB1KDM4EALDH1A1GAAGLA
SCHEMBL10833911 0.72 HPGD (0.42) HSP90AB1KDM4EALDH1A1GAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
WO-2009099070-A1 ORGANIC SEMICONDUCTOR MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-13 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 HSP90AB1 3386/4885KDM4E 1272/4885ALDH1A1 137/4885

“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.