SCHEMBL15922140

SCHEMBL15922140

CC(C)(C)NC(C(=O)O)C(NC(C)(C)C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MAPT P10636 1/20 0.35
PTGS1 P23219 1/20 0.35
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A3 Q01959 1/20 0.32
SLC6A4 P31645 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC1A2 P43004 1/20 0.30

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
SCHEMBL6608711 0.87 SMN1; SMN2 (0.37) ALDH1A1TP53SLC6A3
SCHEMBL17245263 0.87 SMN1; SMN2 (0.37) ALDH1A1TP53SLC6A3
SCHEMBL6608708 0.87 SMN1; SMN2 (0.37) ALDH1A1TP53SLC6A3
SCHEMBL17169784 0.85 TP53 (0.39) ALDH1A1MAPTPTGS1TP53TSHR
SCHEMBL3891997 0.85 TP53 (0.39) ALDH1A1MAPTPTGS1TP53TSHR
Hydrochloric Acid SCHEMBL626518 0.85 SMN1; SMN2 (0.36) ALDH1A1TP53SLC6A3
SCHEMBL3272876 0.85 TP53 (0.39) ALDH1A1MAPTPTGS1TP53TSHR
SCHEMBL3272882 0.85 TP53 (0.39) ALDH1A1MAPTPTGS1TP53TSHR
Hydrochloric Acid SCHEMBL626519 0.85 SMN1; SMN2 (0.36) ALDH1A1TP53SLC6A3
Hydrochloric Acid SCHEMBL3653512 0.83 TP53 (0.38) ALDH1A1TP53TSHRSLC6A3SLC6A4

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-9783671-B2 Cross-linked plastic material with an intrinsic antimicrobial effect based on unsaturated polyesters Fachhochschule Münster (DE) 2017-10-10 US disclosed
EP-2951245-B1 CROSSLINKED PLASTIC MATERIAL WITH INTRINSIC ANTIMICROBIAL EFFECT ON THE BASIS OF UNSATURATED POLYESTER Fachhochschule Münster (DE) 2017-08-02 EP disclosed
US-20150361259-A1 CROSS-LINKED PLASTIC MATERIAL WITH AN INTRINSIC ANTIMICROBIAL EFFECT BASED ON UNSATURATED POLYESTERS Fachhochschule Münster (DE) 2015-12-17 US disclosed
EP-2951245-A1 CROSS-LINKED PLASTIC MATERIAL WITH AN INTRINSIC ANTI-MICROBIAL EFFECT BASED ON UNSATURATED POLYESTER Fachhochschule Münster (DE) 2015-12-09 EP disclosed
WO-2014118314-A1 CROSS-LINKED PLASTIC MATERIAL WITH AN INTRINSIC ANTI-MICROBIAL EFFECT BASED ON UNSATURATED POLYESTER Fachhochschule Münster (DE) 2014-08-07 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-20150361259-A1 CROSS-LINKED PLASTIC MATERIAL WITH AN INTRINSIC ANTIMICROBIAL EFFECT BASED ON UNSATURATED POLYESTERS PUF60, FASN, ALOX5 ALDH1A1 331/4885MAPT 1909/4885PTGS1 30/4885

“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.