SCHEMBL803798

SCHEMBL803798

CCCCCOC(=O)[C@@H](OC(=O)C[N+]1=CC(N)C=C1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
PPARG P37231 2/20 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
SCHEMBL803647 1.00 NPC1 (0.40) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL803648 0.97 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL803595 0.97 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL803819 0.88 MMP8 (0.38) NPC1SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL803650 0.88 KDM4E (0.35) SMN1; SMN2LMNAALDH1A1KDM4ECYP3A4
SCHEMBL803800 0.88 KDM4E (0.35) SMN1; SMN2LMNAALDH1A1KDM4ECYP3A4
SCHEMBL803817 0.85 KMT2A (0.39) ALDH1A1
SCHEMBL803594 0.85 KMT2A (0.39) ALDH1A1
SCHEMBL804130 0.79 ALDH1A1 (0.39) RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL28277988 0.78 NPC1 (0.51) NPC1RAB9ASMN1; SMN2LMNAALDH1A1

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 2 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-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 NPC1 1252/4885RAB9A 4843/4885SMN1; SMN2 2787/4885

“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.