SCHEMBL7109436

SCHEMBL7109436

Oc1ccc(CC(Br)(Br)Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.61
ESR2 Q92731 7/20 0.54
ABAT P80404 1/20 0.48
BLM P54132 3/20 0.47
CA2 P00918 2/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
CA12 O43570 1/20 0.44
GMNN O75496 1/20 0.44
CA1 P00915 1/20 0.44
CA3 P07451 1/20 0.44
MAPT P10636 1/20 0.44
TYR P14679 1/20 0.44

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
SCHEMBL3034699 0.76 ESR1 (0.58) ESR1ESR2ABATBLMCA2
SCHEMBL73405 0.76 ESR1 (1.00) ESR1ESR2ABATBLMCA2
SCHEMBL2174894 0.76 ESR1 (0.58) ESR1ESR2ABATBLMCA2
SCHEMBL156830 0.74 ESR1 (0.61) ESR1ESR2ABATBLMCA2
SCHEMBL6842047 0.74 ESR1 (0.61) ESR1ESR2ABATBLMLMNA
SCHEMBL1068241 0.74 ESR1 (0.70) ESR1ESR2ABATBLMCA2
SCHEMBL7387615 0.72 BLM (0.67) ESR1ESR2ABATBLMCA2
SCHEMBL8191949 0.72 ESR1 (0.67) ESR1ESR2ABATBLMCA2
SCHEMBL564410 0.72 ESR1 (0.67) ESR1ESR2ABATBLMKDM4E
SCHEMBL883392 0.71

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-1161414-B1 CYANATE ESTERS HAVING FLAME RESISTANT PROPERTIES VANTICO AG (CH) 2003-10-01 EP disclosed
US-6458993-B1 AROMATIC CYANATE ESTER COMPOUNDS HAVING AT LEAST TWO RINGS LINKED BY AN UNSATURATED GROUP CONTAINING MEMBER CAN BE EMPLOYED IN ADHESIVES, COMPOSITES, LAMINATES AND MOLDINGS VANTICO INC. 2002-10-01 US disclosed
US-20020055648-A1 Cyanate esters having flame resistant properties JPMORGAN CHASE BANK, N.A. 2002-05-09 US disclosed
US-6365671-B1 HEAT EXCHANGING, CURING VANTICO INC. 2002-04-02 US disclosed
US-6242638-B1 FIREPROOFING USING CURED MIXTURES VANTICO INC. 2001-06-05 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-20020055648-A1 Cyanate esters having flame resistant properties PCCA, FABP4, MCCC2 ESR1 1391/4885ESR2 3000/4885ABAT 303/4885

“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.