SCHEMBL1286933

SCHEMBL1286933

CC(C)C(=O)O.S=C1SCCS1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.33
GABRA1 P14867 3/20 0.32
GABRA5 P31644 3/20 0.32
GABRB2 P47870 3/20 0.32
GABRR1 P24046 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABRA4 P48169 1/20 0.32

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
SCHEMBL3662 0.69
SCHEMBL17767389 0.69 TP53 (0.61) MEN1KMT2AALDH1A1HSD17B10TP53
SCHEMBL5940223 0.69 TP53 (0.61) MEN1KMT2AALDH1A1HSD17B10TP53
SCHEMBL2774033 0.69 TP53 (0.61) MEN1KMT2AALDH1A1HSD17B10TP53
SCHEMBL4640114 0.69 TP53 (0.61) MEN1KMT2AALDH1A1HSD17B10TP53
Hydrogen Peroxide SCHEMBL28852493 0.69
SCHEMBL10857351 0.69
SCHEMBL405938 0.69 TP53 (0.61) MEN1KMT2AALDH1A1HSD17B10TP53
SCHEMBL2531259 0.69 TP53 (0.61) MEN1KMT2AALDH1A1HSD17B10TP53
SCHEMBL17767367 0.69 TP53 (0.61) MEN1KMT2AALDH1A1HSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359457-B2 Protein-based conjugates and self-assembled nanostructures MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-06-07 US disclosed
US-8916683-B2 Nanostructured physically-associating hydrogels for injectable, responsive, and tough biomaterials MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-12-23 US disclosed
US-20140024722-A1 Nanostructured Physically-Associating Hydrogels for Injectable, Responsive, and Tough Biomaterials MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-01-23 US disclosed
US-20130280782-A1 PROTEIN-BASED CONJUGATES AND SELF-ASSEMBLED NANOSTRUCTURES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-24 US disclosed
WO-2012048009-A2 NANOSTRUCTURED PHYSICALLY-ASSOCIATING HYDROGELS FOR INJECTABLE, RESPONSIVE AND TOUGH BIOMATERIALS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-04-12 WO disclosed
US-20110117668-A1 SELF-POWERED SMART DIAGNOSTIC DEVICES UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2011-05-19 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-20140024722-A1 Nanostructured Physically-Associating Hydrogels for Injectable, Responsive, and Tough Biomaterials MSN, CD44, IGFBP4 MEN1 2349/4885KMT2A 4158/4885ALDH1A1 4783/4885

“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.