SCHEMBL18101013

SCHEMBL18101013

CCC(C)(C)C(=O)OCCOC(=O)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.39
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ESR1 P03372 4/20 0.38
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
TSHR P16473 3/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
KDR P35968 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL1104031 0.91 KDM4E (0.40) MEN1KMT2ALMNACDC25ACDC25B
SCHEMBL1104237 0.91 TSHR (0.39) MEN1KMT2ALMNACDC25ACDC25B
SCHEMBL18101033 0.90 ELANE (0.44) MEN1KMT2ALMNACDC25ACDC25B
SCHEMBL12126281 0.84 ALDH1A1 (0.38) MEN1KMT2ALMNAALDH1A1TDP1
SCHEMBL12126258 0.84 MAPT (0.49) MEN1KMT2ALMNAESR1ALDH1A1
SCHEMBL30306346 0.84 CDC25A (0.52) MEN1KMT2ALMNACDC25ACDC25B
SCHEMBL1263397 0.84 CDC25A (0.52) MEN1KMT2ALMNACDC25ACDC25B
SCHEMBL12126278 0.83 CSNK2A1 (0.40) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL751954 0.82 ALDH1A1 (0.54) MEN1KMT2ALMNAHSD17B10KDM4E
SCHEMBL12126271 0.82 KMT2A (0.42) MEN1KMT2AHSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160279251-A1 RANDOM COPOLYMER THERAPEUTIC AGENT CARRIERS AND ASSEMBLIES THEREOF UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2016-09-29 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-20160279251-A1 RANDOM COPOLYMER THERAPEUTIC AGENT CARRIERS AND ASSEMBLIES THEREOF POLI, POLM, POLA1 MEN1 3760/4885KMT2A 4209/4885LMNA 3152/4885

“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.