SCHEMBL2391150

SCHEMBL2391150

COC(=O)c1cc(Cl)c(OC)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
KDM4E B2RXH2 5/20 0.65
GAA P10253 2/20 0.65
TPMT P51580 1/20 0.59
HPGD P15428 2/20 0.54
TAS1R3 Q7RTX0 4/20 0.54
TAS1R1 Q7RTX1 4/20 0.54
TAS1R2 Q8TE23 3/20 0.54
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.50
NFKB1 P19838 1/20 0.50
XDH P47989 1/20 0.50
GFER P55789 1/20 0.50

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
SCHEMBL24481314 0.89 ALDH1A1 (0.53) ALDH1A1KDM4EGAATPMTHPGD
SCHEMBL31573601 0.87 ALDH1A1 (0.51) ALDH1A1KDM4EGAATPMTHPGD
SCHEMBL10322627 0.87 ALDH1A1 (0.51) ALDH1A1KDM4EGAATPMTHPGD
SCHEMBL29856370 0.87 ALDH1A1 (0.51) ALDH1A1KDM4EGAATPMTHPGD
SCHEMBL21836913 0.87 ALDH1A1 (0.51) ALDH1A1KDM4EGAATPMTHPGD
SCHEMBL10322791 0.83 NOTUM (0.49) ALDH1A1KDM4EGAATPMTHPGD
SCHEMBL21999624 0.83 ACLY (0.53) ALDH1A1KDM4EGAATPMTHPGD
SCHEMBL10322733 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EGAATPMTHPGD
SCHEMBL31296533 0.83 ACLY (0.53) ALDH1A1KDM4EGAATPMTHPGD
SCHEMBL8336066 0.83 CA1 (0.56) ALDH1A1KDM4EGAATPMTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE42700-E1 Induction of apoptosis in cancer cells SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-13 US disclosed
US-7053071-B2 For therapy of leukemia or other forms of cancer or for treating disease conditions caused by apoptosis of cells THE BURNHAM INSTITUTE (US) 2006-05-30 US disclosed
WO-2005016385-A1 INSECTICIDAL AND ACARICIDAL COMPOSITIONS WITH UV BLOCKERS AND PHEROMONES SIRENE CALL PTY LTD (AU) 2005-02-24 WO disclosed
EP-1456165-A1 INDUCTION OF APOPTOSIS IN CANCER CELLS The Burnham Institute (US) 2004-09-15 EP disclosed
US-20030176506-A1 Induction of apoptosis in cancer cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2003-09-18 US disclosed
WO-2003048101-A1 INDUCTION OF APOPTOSIS IN CANCER CELLS THE BURNHAM INSTITUTE (US) 2003-06-12 WO disclosed
US-5424479-A Reacting aromatic hydroxycarboxylic acids in a mixture with methoxycarboxylic acids with dimethyl sulfate in water CASSELLA AG (DE) 1995-06-13 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-20030176506-A1 Induction of apoptosis in cancer cells MCL1, BAD, BCL2 ALDH1A1 1651/4885KDM4E 2860/4885GAA 2036/4885

“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.