SCHEMBL3249818

SCHEMBL3249818

CCCCCCCCn1cc2c(c1)OC(C)CO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
NPC1 O15118 7/20 0.35
RAB9A P51151 7/20 0.35
HTT P42858 6/20 0.35
LMNA P02545 3/20 0.35
MAPK1 P28482 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GALR3 O60755 2/20 0.35
POLB P06746 2/20 0.35
ATM Q13315 2/20 0.35
APOBEC3A P31941 2/20 0.35
APOBEC3G Q9HC16 2/20 0.35
HSP90AA1 P07900 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RAD52 P43351 1/20 0.35
PAX8 Q06710 1/20 0.35
NR2F2 P24468 1/20 0.35

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
SCHEMBL17646200 0.79 NPC1 (0.42) NPC1RAB9AHTTLMNAMAPK1
SCHEMBL17626547 0.79 NPC1 (0.42) NPC1RAB9AHTTLMNAMAPK1
SCHEMBL17646207 0.79 NPC1 (0.42) NPC1RAB9AHTTLMNAMAPK1
SCHEMBL182518 0.76 NPC1 (0.40) NPC1RAB9AHTTLMNAMAPK1
SCHEMBL14361646 0.72 EBP (0.36) EBPSIGMAR1NPC1RAB9AHTT
SCHEMBL3249816 0.71 SIGMAR1 (0.37) EBPSIGMAR1NPC1RAB9AHTT
SCHEMBL3263298 0.68 KMT2A (0.32) MEN1KMT2A
Dodecane SCHEMBL8618252 0.66 CYP1A2 (0.41) EBPSIGMAR1SMN1; SMN2POLBALDH1A1
SCHEMBL9302590 0.65 NPC1 (0.48) NPC1RAB9AHTTLMNAMAPK1
SCHEMBL3467744 0.65 NPC1 (0.48) NPC1RAB9AHTTLMNAMAPK1

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 5 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
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
EP-1931630-A1 N-SUBSTITUTED 3,4-ALKYLENEDIOXYPYRROLES, ESTER SUBSTITUTED DIHYDROXYPYRROLES AND METHODS FOR SYNTHESIS OF THESE PYRROLES University of Florida Research Foundation, Incorporated (US) 2008-06-18 EP 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 EBP 201/4885SIGMAR1 2416/4885NPC1 4783/4885

“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.