SCHEMBL355474

SCHEMBL355474

COc1cc2c(OC)c(-c3c(C)cc4c(C=O)c(OC)c(OC)cc4c3OC)c(C)cc2c(C=O)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.50
CYP19A1 P11511 4/20 0.43
NQO2 P16083 4/20 0.43
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
BRCA1 P38398 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.37
ERN1 O75460 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36

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
SCHEMBL2757192 0.94 AKR1B1 (0.46) AKR1B1CYP19A1NQO2ALDH1A1MAPT
SCHEMBL2622281 0.84 AKR1B1 (0.38) AKR1B1CYP19A1NQO2MAPTCYP3A4
SCHEMBL12664485 0.83 AKR1B1 (0.43) AKR1B1CYP19A1NQO2ALDH1A1MAPT
SCHEMBL12673575 0.80 ALDH1A1 (0.42) AKR1B1CYP19A1NQO2ALDH1A1MAPT
SCHEMBL13917719 0.74 AKR1B1 (0.40) AKR1B1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL353909 0.73 MEN1 (0.43) AKR1B1CYP19A1NQO2ALDH1A1MAPT
SCHEMBL11304210 0.72 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EMEN1TP53
SCHEMBL2622282 0.72 PDE3B (0.43) AKR1B1CYP19A1NQO2ALDH1A1MAPT
SCHEMBL353813 0.72 AKR1B1 (0.51) AKR1B1CYP19A1NQO2MAPTCYP3A4
SCHEMBL677316 0.72 CYP19A1 (0.46) AKR1B1CYP19A1NQO2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205088-B1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS BURNHAM INSTITUTE FOR MEDICAL RES (US) 2018-02-21 EP disclosed
EP-2418942-B1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS SANFORD-BURNHAM MEDICAL RES INST (US) 2017-08-23 EP disclosed
US-9115061-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-08-25 US disclosed
US-9115061-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-08-25 US disclosed
US-8937193-B2 Apogossypolone derivatives as anticancer agents SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-01-20 US disclosed
US-8487131-B2 Optically pure apogossypol derivative as pan-active inhibitor of anti-apoptotic B-cell lymphoma/leukemia-2 (BCL-2) SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2013-07-16 US disclosed
US-8436207-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2013-05-07 US disclosed
US-8436207-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2013-05-07 US disclosed
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2012-01-19 US disclosed
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2012-01-19 US disclosed
US-20120004311-A1 OPTICALLY PURE APOGOSSYPOL DERIVATIVE AS PAN-ACTIVE INHIBITOR OF ANTI-APOPTOTIC B-CELL LYMPHOMA/LEUKEMIA-2 (BCL-2) SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-01-05 US disclosed
US-8039668-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-10-18 US disclosed
US-8039668-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-10-18 US disclosed
US-8039668-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-10-18 US disclosed
US-20110112112-A1 APOGOSSYPOLONE DERIVATIVES AS ANTICANCER AGENTS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-05-12 US disclosed
US-20100267781-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-10-21 US disclosed
US-20100267781-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-10-21 US disclosed
US-20100267781-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-10-21 US disclosed
US-20090105319-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 US disclosed
US-20090105319-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 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 (5 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-20110112112-A1 APOGOSSYPOLONE DERIVATIVES AS ANTICANCER AGENTS CYP17A1, HSD17B7, CYP27A1 AKR1B1 66/4885CYP19A1 33/4885NQO2 1578/4885
US-20100267781-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS HAX1, BAX, APOL1 AKR1B1 1345/4885CYP19A1 2620/4885NQO2 541/4885
US-20090105319-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS HAX1, BAX, APOL1 AKR1B1 1140/4885CYP19A1 2483/4885NQO2 646/4885
US-20120004311-A1 OPTICALLY PURE APOGOSSYPOL DERIVATIVE AS PAN-ACTIVE INHIBITOR OF ANTI-APOPTOTIC B-CELL LYMPHOMA/LEUKEMIA-2 (BCL-2) BCL3, BCL9, BCL2 AKR1B1 1203/4885CYP19A1 550/4885NQO2 4269/4885
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins HAX1, PRDX1, APOL1 AKR1B1 1341/4885CYP19A1 2008/4885NQO2 790/4885

“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.