SCHEMBL3250243

SCHEMBL3250243

OCCn1cc2c(c1)OCCCO2

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL2721504 0.81 MEN1 (0.37) SMN1; SMN2
SCHEMBL182879 0.79 PKM (0.32)
SCHEMBL3251038 0.75 GRM5 (0.33) ALDH1A1
SCHEMBL182518 0.73 NPC1 (0.40) SMN1; SMN2ALDH1A1
SCHEMBL182198 0.72 ITGB2 (0.33) SMN1; SMN2ALDH1A1
SCHEMBL3241096 0.72 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1
SCHEMBL182476 0.70 KDM4E (0.32) ALDH1A1
SCHEMBL3241038 0.67 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1
SCHEMBL17646200 0.64 NPC1 (0.42) SMN1; SMN2ALDH1A1
SCHEMBL17646207 0.64 NPC1 (0.42) SMN1; SMN2ALDH1A1

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 SMN1; SMN2 4448/4885ALDH1A1 430/4885

“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.