SCHEMBL353668

SCHEMBL353668

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.42
AKR1B1 P15121 4/20 0.39
SLC10A2 Q12908 1/20 0.34
ALOX5 P09917 3/20 0.34
CYP19A1 P11511 2/20 0.33
NQO2 P16083 2/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
SMPD1 P17405 1/20 0.33
G6PD P11413 1/20 0.32
AOC3 Q16853 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL353866 0.85 AKR1B1 (0.40) PDE4DAKR1B1ALOX5CYP19A1NQO2
SCHEMBL2622282 0.80 PDE3B (0.43) PDE4DAKR1B1ALOX5CYP19A1NQO2
SCHEMBL353840 0.78 BCL2 (0.48) CYP19A1KDM4EG6PD
SCHEMBL1889772 0.78 TUBB4A (0.43) CYP19A1ACHEKDM4EALDH1A1LMNA
SCHEMBL353813 0.74 AKR1B1 (0.51) AKR1B1ALOX5CYP19A1NQO2ACHE
SCHEMBL353633 0.72 TDP1 (0.38) AKR1B1CYP19A1NQO2KDM4EMEN1
SCHEMBL13917720 0.72 AKR1B1 (0.45) PDE4DAKR1B1ALOX5CYP19A1NQO2
SCHEMBL12664476 0.70 AKR1B1 (0.47) AKR1B1CYP19A1NQO2ACHEPOLB
SCHEMBL353909 0.69 MEN1 (0.43) AKR1B1CYP19A1NQO2KDM4EMEN1
SCHEMBL9253296 0.68 HTR2A (0.60) ALOX5CYP19A1G6PDAOC3HTR2A

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
EP-2418942-B1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS SANFORD-BURNHAM MEDICAL RES INST (US) 2017-08-23 EP disclosed
US-8436207-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2013-05-07 US disclosed
EP-2418942-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS Sanford-Burnham Medical Research Institute (US) 2012-02-22 EP disclosed
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2012-01-19 US disclosed
US-8039668-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-10-18 US disclosed
WO-2010120943-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2010-10-21 WO disclosed
US-20100267781-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-10-21 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-20100267781-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS HAX1, BAX, APOL1 PDE4D 4821/4885AKR1B1 1345/4885SLC10A2 3157/4885
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins HAX1, PRDX1, APOL1 PDE4D 4839/4885AKR1B1 1341/4885SLC10A2 3146/4885

“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.