SCHEMBL69509

SCHEMBL69509

Oc1cc(Br)cc(Br)c1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.72
TSHR P16473 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
GABRA1 P14867 2/20 0.62
GABRB1 P18505 2/20 0.62
GABRA2 P47869 1/20 0.62
GABRB2 P47870 1/20 0.62
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
ERN1 O75460 1/20 0.50
ALOX15 P16050 6/20 0.48
ALOX12 P18054 4/20 0.46
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL1879308 0.84 TDP1 (0.56) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL18224 0.84 CYP3A4 (1.00) CYP3A4TSHRTDP1GABRA1GABRB1
Hydrogen Sulfide SCHEMBL27992646 0.81 CYP3A4 (0.93) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL29858952 0.81 CYP3A4 (0.93) CYP3A4TSHRTDP1GABRA1GABRB1
Iodide SCHEMBL28328087 0.81 CYP3A4 (0.93) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL4340169 0.81 CYP3A4 (0.93) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL28015082 0.81 CYP3A4 (0.93) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL11020186 0.81 CYP3A4 (0.93) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL10546483 0.81 CYP3A4 (0.93) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL11020188 0.81 CYP3A4 (0.93) CYP3A4TSHRTDP1GABRA1GABRB1

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 10 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
US-8962779-B2 Method of forming polyaryl polymers DOW GLOBAL TECHNOLOGIES LLC (US) 2015-02-24 US disclosed
US-20150031847-A1 METHOD OF FORMING POLYARYL POLYMERS DOW GLOBAL TECHNOLOGIES LLC 2015-01-29 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
US-3987109-A POLYMERIZATION OF POLYFUNCTIONAL PHENOLS UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-10-19 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 CYP3A4 2028/4885TSHR 3263/4885TDP1 3534/4885

“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.