SCHEMBL803822

SCHEMBL803822

CCCCOC(=O)C(c1ccc2c(c1)OCO2)n1cc[n+](C)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAS1R3 Q7RTX0 4/20 0.39
TAS1R1 Q7RTX1 4/20 0.39
OGA O60502 2/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
EDNRB P24530 1/20 0.37

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
SCHEMBL803823 0.85 EDNRA (0.47) HPGDALDH1A1KMT2AKDM4ETAS1R3
SCHEMBL803598 0.83 APP (0.41) HPGDRAB9ASMN1; SMN2TSHR
SCHEMBL786172 0.82 CYP3A4 (0.48) HPGDALDH1A1KMT2AMEN1KDM4E
Bromide SCHEMBL786346 0.81 CYP3A4 (0.47) HPGDALDH1A1KMT2AMEN1KDM4E
SCHEMBL15896802 0.81 MAPT (0.40) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL803623 0.79 NPC1 (0.33) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL786416 0.73 CYP3A4 (0.39) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL15896801 0.72 ALDH1A1 (0.38) HPGDALDH1A1KMT2AMEN1KDM4E
Bromide SCHEMBL786345 0.72 ALDH1A1 (0.37) HPGDALDH1A1KMT2AMEN1KDM4E
SCHEMBL15896809 0.71 KMT2A (0.39) HPGDALDH1A1KMT2AMEN1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785655-B2 Ionic liquid solvents DUBLIN CITY UNIVERSITY (IE) 2014-07-22 US disclosed
US-8785655-B2 Ionic liquid solvents DUBLIN CITY UNIVERSITY (IE) 2014-07-22 US disclosed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 US disclosed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 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-20120071661-A1 Ionic Liquid Solvents EBP, PAICS, HACD3 HPGD 1134/4885ALDH1A1 834/4885KMT2A 3968/4885

“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.