SCHEMBL3072597

SCHEMBL3072597

COC(=O)c1cccc2c1NC(=O)CC2(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
CRBN Q96SW2 2/20 0.40
DDB1 Q16531 1/20 0.40
PDK2 Q15119 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CFTR P13569 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NR4A2 P43354 3/20 0.38
PTPRC P08575 1/20 0.38
KDM4E B2RXH2 3/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
CREBBP Q92793 1/20 0.37
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
SLC6A3 Q01959 1/20 0.35
MAPT P10636 1/20 0.35
CDK4 P11802 1/20 0.35

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
SCHEMBL15135472 0.84 RARB (0.36) CRBNDDB1PDK2LMNAALDH1A1
SCHEMBL31273929 0.81 KDM4E (0.37) ALOX5CRBNDDB1PDK2ALDH1A1
SCHEMBL1639672 0.78 SMYD3 (0.53) ALOX5CRBNDDB1PDK2LMNA
SCHEMBL30237651 0.78 PDK2 (0.54) ALOX5PDK2LMNATSHRALDH1A1
SCHEMBL9382456 0.74 ALDH1A1 (0.44) CRBNDDB1PDK2ALDH1A1HSD17B10
SCHEMBL28629553 0.74 CRBN (0.47) ALOX5CRBNDDB1LMNATSHR
SCHEMBL30114834 0.74 CRBN (0.47) ALOX5CRBNDDB1LMNATSHR
SCHEMBL5764522 0.73 PDE7A (0.46) PDK2ALDH1A1KDM4EPOLBCREBBP
SCHEMBL15119771 0.72 ALOX5 (0.58) ALOX5PDK2LMNATSHRALDH1A1
SCHEMBL17478594 0.72 PDE7A (0.45) CRBNDDB1PDK2ALDH1A1MAPT

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-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO 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-20090012055-A1 Organic compounds REN, ACE, ACE2 ALOX5 953/4885CRBN 3463/4885DDB1 3611/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 ALOX5 953/4885CRBN 3463/4885DDB1 3611/4885

“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.