SCHEMBL68500

SCHEMBL68500

Oc1c(Br)cc(Br)c(Br)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 1.00
CA2 P00918 3/20 1.00
CA4 P22748 3/20 1.00
CA6 P23280 3/20 1.00
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALOX15 P16050 4/20 0.48
ALOX12 P18054 3/20 0.48
AKR1B1 P15121 3/20 0.44
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
TTR P02766 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
RECQL P46063 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL1686683 0.87 CA2 (0.77) CA1CA2CA4CA6CYP3A4
SCHEMBL16426096 0.83 CA1 (0.71) CA1CA2CA4CA6CYP3A4
SCHEMBL9472226 0.81 CA1 (0.68) CA1CA2CA4CA6CYP3A4
SCHEMBL69904 0.80 CA1 (0.67) CA1CA2CA4CA6CYP3A4
SCHEMBL6224574 0.79 CA1 (0.65) CA1CA2CA4CA6CYP3A4
SCHEMBL28017537 0.78 CA1 (0.63) CA1CA2CA4CA6CYP3A4
SCHEMBL516617 0.73 CA1 (0.57) CA1CA2CA4CA6CYP3A4
SCHEMBL30057734 0.72 CA2 (0.56) CA1CA2CA4CA6CYP3A4
SCHEMBL16518354 0.71 CA1 (0.55) CA1CA2CA4CA6CYP3A4
SCHEMBL6360419 0.69 CA2 (0.64) CA1CA2CA4CA6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CA1 550/4885CA2 612/4885CA4 500/4885

“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.