SCHEMBL7619922

SCHEMBL7619922

C=CCOCC(CC(=O)O)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.41
CASP1 P29466 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.32
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
CA4 P22748 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4443728 0.83 CA1 (0.59) CA1CA2CA7CA9CASP1
SCHEMBL7618020 0.80 TDP1 (0.41) CA1CA2CA7CA9CASP1
SCHEMBL19341237 0.80 CA1 (0.41) CA1CA2CA7CA9CASP1
SCHEMBL7086367 0.77 CA1 (0.54) CA1CA2CA7CA9CA4
SCHEMBL18604307 0.74 CA1 (0.52) CA1CA2CA7CA9TDP1
Malic Acid SCHEMBL3809544 0.73 SMN1; SMN2 (0.60) CA1CA2CA7CASP1TDP1
SCHEMBL10633727 0.73 CA1 (0.50) CA1CA2CA7CA9CA4
SCHEMBL811520 0.73 CA1 (0.50) CA1CA2CA7CA9CA4
SCHEMBL11508517 0.72 CA1 (0.50) CA1CA2CA7CA9TDP1
Bicarbonate SCHEMBL1206563 0.71 CA1 (0.41) CA1CA2CA7CA9TDP1

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-6433150-B2 Anthracycline analogues bearing latent alkylating substituents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-08-13 US disclosed
US-20010053845-A1 Anthracycline analogues bearing latent alkylating substituents BOARD OF REGENTS 2001-12-20 US disclosed
US-6284737-B1 ANTICARCER AGENTS PRO-NEURON, INC. 2001-09-04 US disclosed
EP-0555358-B1 ANTHRACYCLINE ANALOGUES BEARING LATENT ALKYLATING SUBSTITUENTS UNIV TEXAS (US) 1994-08-10 EP disclosed
US-5196522-A Antitumor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-03-23 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-20010053845-A1 Anthracycline analogues bearing latent alkylating substituents BCR, MCL1, NCL CA1 826/4885CA2 2396/4885CA7 943/4885

“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.