SCHEMBL353633

SCHEMBL353633

COc1cc2c(OC)c(-c3c(C)cc4c(CC5CCCC5)c(OC)c(OC)cc4c3OC)c(C)cc2c(CC2CCCC2)c1OC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
P2RX7 Q99572 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
PTAFR P25105 2/20 0.35
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
CA4 P22748 6/20 0.34
CA6 P23280 6/20 0.34
KMT2A Q03164 2/20 0.34
AKR1B1 P15121 1/20 0.34
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP19A1 P11511 1/20 0.32
NQO2 P16083 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
SCHEMBL2622282 0.78 PDE3B (0.43) KDM4EALDH1A1KMT2AAKR1B1MAPT
SCHEMBL353866 0.74 AKR1B1 (0.40) AKR1B1CYP19A1NQO2
SCHEMBL353668 0.72 PDE4D (0.42) KDM4EALDH1A1POLBKMT2AAKR1B1
SCHEMBL1889772 0.70 TUBB4A (0.43) KDM4EALDH1A1MAPTCYP19A1
SCHEMBL13917720 0.70 AKR1B1 (0.45) AKR1B1CYP19A1NQO2
SCHEMBL353840 0.70 BCL2 (0.48) KDM4ECYP19A1
SCHEMBL353909 0.70 MEN1 (0.43) TDP1KDM4EALDH1A1POLBCA1
SCHEMBL353452 0.67 MEN1 (0.37) TDP1KMT2AMEN1SMN1; SMN2
SCHEMBL355339 0.66 OXTR (0.37) TDP1
SCHEMBL353813 0.66 AKR1B1 (0.51) POLBAKR1B1MAPTCYP19A1NQO2

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 TDP1 2124/4885P2RX7 599/4885KDM4E 4607/4885
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins HAX1, PRDX1, APOL1 TDP1 2361/4885P2RX7 371/4885KDM4E 4564/4885

“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.