SCHEMBL1314738

SCHEMBL1314738

O=C(O)c1ccc(C#CCCCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.49
MMP12 P39900 2/20 0.49
HCAR2 Q8TDS4 1/20 0.47
RARB P10826 2/20 0.46
RARG P13631 2/20 0.46
PTPN11 Q06124 1/20 0.44
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43

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
SCHEMBL22614920 0.95 MMP2 (0.51) MMP2MMP12HCAR2RARBRARG
SCHEMBL28687599 0.93 MMP2 (0.54) MMP2MMP12HCAR2RARBRARG
SCHEMBL22614924 0.88 TPMT (0.50) MMP2MMP12HCAR2RARBRARG
SCHEMBL6937361 0.83 MMP2 (0.69) MMP2MMP12RARBRARGFFAR1
SCHEMBL4271492 0.81 MMP2 (0.72) MMP2MMP12RARBFFAR1FFAR4
SCHEMBL6934491 0.81 MMP2 (0.72) MMP2MMP12RARBFFAR1FFAR4
SCHEMBL30143434 0.81 MMP2 (0.72) MMP2MMP12RARBFFAR1FFAR4
SCHEMBL7679694 0.81 MMP2 (0.66) MMP2MMP12HCAR2RARBRARG
SCHEMBL18453785 0.81 KDM4E (0.52) MMP2MMP12GABRPGABRDGABRA1
SCHEMBL1314552 0.80 CYP4A11 (0.55) MMP2MMP12PTPN11GABRPGABRD

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-8450490-B2 Bi-functional pyrazolopyridine compounds GILEAD SCIENCES, INC. (US) 2013-05-28 US disclosed
US-8450490-B2 Bi-functional pyrazolopyridine compounds GILEAD SCIENCES, INC. (US) 2013-05-28 US disclosed
US-8450490-B2 Bi-functional pyrazolopyridine compounds GILEAD SCIENCES, INC. (US) 2013-05-28 US disclosed
US-8367829-B2 Bi-functional pyrazolopyridine compounds GILEAD SCIENCES, INC. (US) 2013-02-05 US disclosed
US-8367829-B2 Bi-functional pyrazolopyridine compounds GILEAD SCIENCES, INC. (US) 2013-02-05 US disclosed
US-20130018050-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-01-17 US disclosed
US-20130018050-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-01-17 US disclosed
WO-2011143106-A1 BI - FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-11-17 WO disclosed
US-20110275623-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-11-10 US disclosed
US-20110275623-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-11-10 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 (2 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-20130018050-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS BDKRB2, BDKRB1, P2RX7 MMP2 3265/4885MMP12 1787/4885HCAR2 238/4885
US-20110275623-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS BDKRB2, BDKRB1, P2RX7 MMP2 3265/4885MMP12 1787/4885HCAR2 238/4885

“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.