SCHEMBL2935869

SCHEMBL2935869

CC(C)c1cccc(C=CC=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 3/20 0.55
CDK1 P06493 3/20 0.55
CDK4 P11802 3/20 0.55
CCNB1 P14635 3/20 0.55
CCND1 P24385 3/20 0.55
CCNB3 Q8WWL7 3/20 0.55
ALDH1A1 P00352 3/20 0.50
TRPA1 O75762 1/20 0.50
LMNA P02545 1/20 0.50
ALOX5 P09917 1/20 0.50
MAPK1 P28482 1/20 0.50
TYR P14679 3/20 0.46
HDAC4 P56524 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
MDM4 O15151 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL2935867 1.00 CCNB2 (0.55) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL727874 0.80 TYR (0.56) ALDH1A1TYRHDAC4HDAC8KDM4E
SCHEMBL30291836 0.80 TYR (0.56) ALDH1A1TYRHDAC4HDAC8KDM4E
SCHEMBL31114357 0.80 CDK4 (0.72) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL16105818 0.79 AHR (0.52) ALDH1A1ALOX5TYRHDAC4HDAC8
SCHEMBL14051358 0.79 TYR (0.46) ALDH1A1LMNATYRHDAC4HDAC8
SCHEMBL16105690 0.79 AHR (0.52) ALDH1A1ALOX5TYRHDAC4HDAC8
SCHEMBL16105692 0.79 AHR (0.52) ALDH1A1ALOX5TYRHDAC4HDAC8
SCHEMBL13614224 0.77 HDAC4 (0.46) ALDH1A1TYRHDAC4HDAC8KDM4E
SCHEMBL38650793 0.77 HDAC4 (0.44) ALDH1A1TYRHDAC4HDAC8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 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 (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-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD CCNB2 4354/4885CDK1 3812/4885CDK4 2822/4885

“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.