SCHEMBL3255129

SCHEMBL3255129

CCCCC(CC)COCCn1cc2c(c1)OCCCO2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.43
ALDH1A1 P00352 4/20 0.41
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
CA2 P00918 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 4/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 2/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL14046558 0.80 CHRM2 (0.40) CYP3A4ALDH1A1CA2TSHRTDP1
SCHEMBL3250012 0.77 CYP3A4 (0.49) CYP3A4ALDH1A1MMP9MMP8MMP14
SCHEMBL182476 0.74 KDM4E (0.32) ALDH1A1
SCHEMBL1835296 0.69 CYP3A4 (0.74) CYP3A4ALDH1A1MMP9MMP8MMP14
SCHEMBL15511468 0.69 CYP3A4 (0.55) CYP3A4ALDH1A1MMP9MMP8MMP14
SCHEMBL2721504 0.68 MEN1 (0.37) TSHRMAPK1
SCHEMBL11905467 0.67 CYP3A4 (0.71) CYP3A4ALDH1A1MMP9MMP8MMP14
SCHEMBL5469162 0.67 CYP3A4 (0.78) CYP3A4ALDH1A1MMP9MMP8MMP14
SCHEMBL2241603 0.67 CYP3A4 (0.78) CYP3A4ALDH1A1MMP9MMP8MMP14
SCHEMBL13007628 0.67 CYP3A4 (0.71) CYP3A4ALDH1A1MMP9MMP8MMP14

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
US-7799932-B2 N-substituted 3,4-alkylenedioxypyrroles, ester substituted dihydroxypyrroles and methods for synthesis of these pyrroles UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-09-21 US disclosed
US-7799932-B2 N-substituted 3,4-alkylenedioxypyrroles, ester substituted dihydroxypyrroles and methods for synthesis of these pyrroles UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-09-21 US disclosed
US-7799932-B2 N-substituted 3,4-alkylenedioxypyrroles, ester substituted dihydroxypyrroles and methods for synthesis of these pyrroles UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-09-21 US disclosed
EP-1931630-B1 N-SUBSTITUTED 3,4-ALKYLENEDIOXYPYRROLES, ESTER SUBSTITUTED DIHYDROXYPYRROLES AND METHODS FOR SYNTHESIS OF THESE PYRROLES UNIV FLORIDA (US) 2010-05-12 EP disclosed
EP-1931630-B1 N-SUBSTITUTED 3,4-ALKYLENEDIOXYPYRROLES, ESTER SUBSTITUTED DIHYDROXYPYRROLES AND METHODS FOR SYNTHESIS OF THESE PYRROLES UNIV FLORIDA (US) 2010-05-12 EP disclosed
US-20090149661-A1 N-Substituted 3,4-Alkylenedioxypyrroles, Ester Substituted Dihydroxypyrroles and Methods for Synthesis of These Pyrroles UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-06-11 US disclosed
US-20090149661-A1 N-Substituted 3,4-Alkylenedioxypyrroles, Ester Substituted Dihydroxypyrroles and Methods for Synthesis of These Pyrroles UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-06-11 US disclosed
US-20090149661-A1 N-Substituted 3,4-Alkylenedioxypyrroles, Ester Substituted Dihydroxypyrroles and Methods for Synthesis of These Pyrroles UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-06-11 US disclosed
WO-2007041724-A1 N-SUBSTITUTED 3,4-ALKYLENEDIOXYPYRROLES, ESTER SUBSTITUTED DIHYDROXYPYRROLES AND METHODS FOR SYNTHESIS OF THESE PYRROLES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2007-04-12 WO 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-20090149661-A1 N-Substituted 3,4-Alkylenedioxypyrroles, Ester Substituted Dihydroxypyrroles and Methods for Synthesis of These Pyrroles PAH, DDT, DHPS CYP3A4 17/4885ALDH1A1 430/4885MMP9 4781/4885

“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.