SCHEMBL13601932

SCHEMBL13601932

COC(=O)C1CN(C(C)C)CC(C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
HIF1A Q16665 1/20 0.37
BRD4 O60885 1/20 0.36
CYP2C19 P33261 1/20 0.32
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30
MAPT P10636 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
SCHEMBL14641237 0.78 BRD4 (0.42) CYP1A2HIF1ABRD4CYP2C19TSHR
SCHEMBL13033085 0.76 PIK3CD (0.36) ALDH1A1MAPT
SCHEMBL10586684 0.75 CHRNB2 (0.42) CYP1A2HIF1ABRD4TSHRALDH1A1
SCHEMBL10017887 0.74 BRD4 (0.36) CYP1A2HIF1ABRD4ALDH1A1
SCHEMBL9963113 0.71 BRD4 (0.44) BRD4CYP2C19ALDH1A1
SCHEMBL10587633 0.70 PDE4B (0.44) BRD4ALDH1A1MAPT
SCHEMBL5346726 0.70 CYP1A2 (0.41) CYP1A2HIF1ABRD4CYP2C19ALDH1A1
SCHEMBL10394770 0.67 CHRM2 (0.45) ALDH1A1
SCHEMBL3310290 0.67 CYP1A2 (0.39) CYP1A2HIF1ABRD4ALDH1A1CA1
SCHEMBL20682325 0.66 CYP2C19 (0.39) CYP1A2HIF1ACYP2C19ALDH1A1

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-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
US-7166600-B2 Thiocarbamate inhibitors of alpha-4 integrins GENENTECH, INC. (US) 2007-01-23 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 (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-20090325962-A1 TYROSINE DERIVATIVE VCAM1, ICAM1, ITGB4 CYP1A2 2883/4885HIF1A 1198/4885BRD4 367/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B CYP1A2 3933/4885HIF1A 2051/4885BRD4 447/4885

“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.