SCHEMBL17371291

SCHEMBL17371291

COc1c(C)ccc(C(=O)O)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.68
MAPT P10636 1/20 0.68
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HPGD P15428 2/20 0.50
SELL P14151 1/20 0.45
SELP P16109 1/20 0.45
GRM1 Q13255 1/20 0.41
POLB P06746 1/20 0.41
MCL1 Q07820 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
LDHA P00338 1/20 0.39
HAAO P46952 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL12556197 0.85 MAPT (0.49) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL28841565 0.85 TDP1 (0.58) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL6646160 0.84 TDP1 (0.52) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL17371338 0.84 MAPT (0.50) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL23739273 0.83 TDP1 (0.47) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL12683255 0.82 TDP1 (0.70) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL11218412 0.82 TDP1 (0.50) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL1696758 0.81 MAPT (0.62) TDP1MAPTALDH1A1HSD17B10KDM4E
2-Hydroxy-3,4-Dimethoxybenzoic Acid SCHEMBL419244 0.81 MAPT (1.00) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL20788572 0.80 ALDH1A1 (0.50) TDP1MAPTALDH1A1HSD17B10KDM4E

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
EP-3224238-B1 NOVEL CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2021-08-11 EP disclosed
US-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2015-12-31 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-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS MB, ALB, BCAT2 TDP1 4796/4885MAPT 3111/4885ALDH1A1 2409/4885

“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.