SCHEMBL353866

SCHEMBL353866

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.40
ACHE P22303 1/20 0.35
CYP19A1 P11511 2/20 0.35
NQO2 P16083 2/20 0.35
ALOX5 P09917 3/20 0.33
PDE5A O76074 1/20 0.33
PDE4A P27815 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE1C Q14123 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL353668 0.85 PDE4D (0.42) AKR1B1ACHECYP19A1NQO2ALOX5
SCHEMBL2622282 0.83 PDE3B (0.43) AKR1B1ACHECYP19A1NQO2ALOX5
SCHEMBL353813 0.76 AKR1B1 (0.51) AKR1B1ACHECYP19A1NQO2ALOX5
SCHEMBL353840 0.74 BCL2 (0.48) CYP19A1PDE5A
SCHEMBL353633 0.74 TDP1 (0.38) AKR1B1CYP19A1NQO2
SCHEMBL1889772 0.74 TUBB4A (0.43) ACHECYP19A1
SCHEMBL13917720 0.74 AKR1B1 (0.45) AKR1B1CYP19A1NQO2ALOX5PDE5A
SCHEMBL12664476 0.72 AKR1B1 (0.47) AKR1B1ACHECYP19A1NQO2PDE3B
SCHEMBL353909 0.71 MEN1 (0.43) AKR1B1CYP19A1NQO2
SCHEMBL12673487 0.70 MCL1 (0.54) AKR1B1PDE3BPDE3A

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
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
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
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 AKR1B1 1345/4885ACHE 4142/4885CYP19A1 2620/4885
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins HAX1, PRDX1, APOL1 AKR1B1 1341/4885ACHE 4310/4885CYP19A1 2008/4885

“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.