SCHEMBL2525919

SCHEMBL2525919

C=CCOc1ccc(C(C)[C@@H](NC(C)=O)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ACACB O00763 9/20 0.42
MTNR1A P48039 4/20 0.42
MTNR1B P49286 3/20 0.42
GAA P10253 1/20 0.42
POLB P06746 2/20 0.41
ACACA Q13085 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
APOBEC3A P31941 1/20 0.41
CASP6 P55212 1/20 0.41
KMT2A Q03164 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40

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
SCHEMBL2521740 0.89 ACACB (0.43) CYP2D6ALDH1A1ACACBGAAPOLB
SCHEMBL2521345 0.85 NPC1 (0.45) CYP2D6ALDH1A1ACACBPOLBACACA
SCHEMBL2523786 0.84 MAPT (0.42) CYP2D6ALDH1A1ACACBGAAPOLB
SCHEMBL9628728 0.78 AKR1C3 (0.50) CYP2D6ALDH1A1POLBNPC1MAPT
SCHEMBL7738406 0.76 NR1H2 (0.40) ALDH1A1ACACBMTNR1AMTNR1BACACA
SCHEMBL2186966 0.75 ITGB3 (0.62)
SCHEMBL2525703 0.75 ITGB3 (0.62)
SCHEMBL12214839 0.75 ITGB3 (0.62)
SCHEMBL2522738 0.74 MME (0.44) ALDH1A1ACACBACACAMAPTMEN1
SCHEMBL2329884 0.74 MME (0.51) ACACBMTNR1AMTNR1BGAAACACA

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-8039430-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2011-10-18 US disclosed
US-20080300287-A1 Peptidic Compounds UNIVERSITY OF WOLLONGONG (AU) 2008-12-04 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-20080300287-A1 Peptidic Compounds VIP, NGLY1, FURIN CYP2D6 1897/4885ALDH1A1 4208/4885ACACB 3074/4885

“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.