SCHEMBL69446

SCHEMBL69446

Oc1cc(Br)c(Br)c(Br)c1O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.56
AKR1B1 P15121 5/20 0.54
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA4 P22748 3/20 0.50
CA6 P23280 3/20 0.50
ALOX15 P16050 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL11882654 0.82 PTPN1 (0.60) PTPN1AKR1B1CA1CA2CA4
SCHEMBL6224574 0.82 CA1 (0.65) PTPN1AKR1B1CA1CA2CA4
SCHEMBL30479640 0.79 PTPN1 (0.46) PTPN1AKR1B1CA1CA2CA4
SCHEMBL9472226 0.79 CA1 (0.68) PTPN1AKR1B1CA1CA2CA4
SCHEMBL144299 0.79 PTPN1 (0.46) PTPN1AKR1B1CA1CA2CA4
SCHEMBL68947 0.77 PTPN1 (0.54) PTPN1AKR1B1CA1CA2CA4
Iodide SCHEMBL31484222 0.77 PTPN1 (0.44) PTPN1AKR1B1CA1CA2CA4
SCHEMBL516617 0.77 CA1 (0.57) PTPN1AKR1B1CA1CA2CA4
Hydrogen Sulfide SCHEMBL28189848 0.77 PTPN1 (0.44) PTPN1AKR1B1CA1CA2CA4
SCHEMBL19003619 0.76 PTPN1 (0.44) PTPN1CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116354945-B Fused imidazole carboxylic acid compound and preparation method and application thereof 长春金赛药业有限责任公司 2024-08-30 CN disclosed
CN-116354945-A Fused imidazole carboxylic acid compound and preparation method and application thereof 长春金赛药业有限责任公司 2023-06-30 CN disclosed
US-9981887-B1 Synthesis of phenylethynylbenzenes THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2018-05-29 US disclosed
US-9981887-B1 Synthesis of phenylethynylbenzenes THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2018-05-29 US disclosed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 PTPN1 3997/4885AKR1B1 1027/4885CA1 550/4885

“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.