SCHEMBL2623830

SCHEMBL2623830

CCC(=O)CC(C)(C)c1ccccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 1/20 0.42
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CTSD P07339 1/20 0.39
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
LMNA P02545 3/20 0.38
ENPP2 Q13822 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
NFE2L2 Q16236 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
SCHEMBL30040484 0.83 POLB (0.50) MEN1KMT2AATMGAASMN1; SMN2
SCHEMBL6892090 0.83 POLB (0.50) MEN1KMT2AATMGAASMN1; SMN2
SCHEMBL11353395 0.83 ATM (0.40) MEN1KMT2AATMGAASMN1; SMN2
SCHEMBL20110940 0.82 GAA (0.43) MEN1KMT2AATMGAASMN1; SMN2
SCHEMBL27810414 0.82 GAA (0.46) MEN1KMT2AATMGAASMN1; SMN2
SCHEMBL10313421 0.82 NR3C2 (0.50)
SCHEMBL3143535 0.82 MEN1 (0.40) MEN1KMT2AATMGAASMN1; SMN2
SCHEMBL12863853 0.79 KMT2A (0.41) MEN1KMT2AATMGAASMN1; SMN2
SCHEMBL4470391 0.79 ATM (0.44) MEN1KMT2AATMGAASMN1; SMN2
SCHEMBL3533288 0.79 MEN1 (0.49) MEN1KMT2AATMGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642555-B2 Prodrugs KTB TUMORFORSCHUNGSGESELLSCHAFT MBH (DE) 2014-02-04 US disclosed
US-20120094892-A1 PRODRUGS KTB TUMORFORSCHUNGSGESELLSCHAFT MBH (DE) 2012-04-19 US disclosed
US-20110117009-A1 DRUG CONJUGATES WITH POLYGLYCEROLS FREIE UNIVERSITÄT BERLIN (DE) 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 (2 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-20120094892-A1 PRODRUGS ACP3, KLK3, FOLH1 MEN1 1324/4885KMT2A 2121/4885ATM 2965/4885
US-20110117009-A1 DRUG CONJUGATES WITH POLYGLYCEROLS DDOST, STT3A, STT3B MEN1 1603/4885KMT2A 2736/4885ATM 4270/4885

“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.