SCHEMBL15224066

SCHEMBL15224066

COc1cc(-c2nc3cc(C(C)=O)ccc3[nH]2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP1B1 Q16678 1/20 0.55
PARP1 P09874 1/20 0.54
NOX1 Q9Y5S8 2/20 0.51
AMY1A P0DUB6 2/20 0.48
PDE4A P27815 4/20 0.47
PDE4B Q07343 4/20 0.47
PDE4C Q08493 4/20 0.47
PDE4D Q08499 4/20 0.47
CHEK1 O14757 2/20 0.46
RHEB Q15382 1/20 0.46
ALOX5 P09917 1/20 0.45
EPHX2 P34913 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL12470812 0.91 CYP1A1 (0.58) CYP1A1CYP1A2CYP1B1PARP1NOX1
SCHEMBL31737379 0.91 CYP1A1 (0.58) CYP1A1CYP1A2CYP1B1PARP1NOX1
SCHEMBL16329713 0.91 CYP1A1 (0.55) CYP1A1CYP1B1PARP1AMY1APDE4A
SCHEMBL12392519 0.87 CYP1A1 (0.52) CYP1A1CYP1A2CYP1B1PARP1NOX1
SCHEMBL16329515 0.87 AMY1A (0.47) PARP1AMY1APDE4APDE4BPDE4C
SCHEMBL7996211 0.86 CYP1A1 (0.59) CYP1A1CYP1A2CYP1B1PARP1NOX1
SCHEMBL15223762 0.83 CHEK2 (0.61) CYP1A2RHEBKDM4ENPC1ALDH1A1
SCHEMBL7396876 0.83 ALOX5 (0.62) CYP1A1CYP1A2CYP1B1PARP1NOX1
SCHEMBL6450741 0.82 NPBWR1 (0.60) RHEBKDM4ENPC1ALDH1A1LMNA
SCHEMBL7395692 0.81 AMY1A (0.62) CYP1A1CYP1A2CYP1B1PARP1NOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-11-23 US disclosed
US-9815784-B2 CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2017-11-14 US disclosed
US-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-09-28 US disclosed
US-9629924-B2 Conjugates of CC-1065 analogs and bifunctional linkers SYNTARGA BV (NL) 2017-04-25 US disclosed
US-20130224227-A1 NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS BYONDIS B.V. (NL) 2013-08-29 US disclosed
US-20110207767-A1 Novel cc-1065 Analogs and Their Conjugates BYONDIS B.V. (NL) 2011-08-25 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 (4 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-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L CYP1A1 4028/4885CYP1A2 4008/4885CYP1B1 4162/4885
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L CYP1A1 4028/4885CYP1A2 4008/4885CYP1B1 4162/4885
US-20110207767-A1 Novel cc-1065 Analogs and Their Conjugates PCNA, CDC5L, TOP1 CYP1A1 3613/4885CYP1A2 3638/4885CYP1B1 3652/4885
US-20130224227-A1 NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS PCNA, DCLRE1A, CDC5L CYP1A1 4028/4885CYP1A2 4008/4885CYP1B1 4162/4885

“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.