SCHEMBL355055

SCHEMBL355055

Cc1cc(C)c(Cc2c(-c3ccc4c(C(N)=O)cccc4c3Cc3c(C)cc(C)cc3C)ccc3c(C(N)=O)cccc23)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD38 P28907 9/20 0.39
CYP3A4 P08684 3/20 0.39
KCNH2 Q12809 2/20 0.39
RPS6KB1 P23443 4/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PARP1 P09874 3/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
AURKA O14965 1/20 0.35
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL353653 0.83 RPS6KB1 (0.46) CD38RPS6KB1KDM4EALDH1A1GAA
SCHEMBL352441 0.76 RPS6KB1 (0.46) CD38RPS6KB1KDM4EALDH1A1PARP1
SCHEMBL634715 0.73 KMT2A (0.46) KDM4EALDH1A1GAAPARP1KMT2A
SCHEMBL353377 0.70 SIRT2 (0.47) CD38RPS6KB1KDM4EALDH1A1GAA
SCHEMBL11607263 0.70 CYP1A2 (0.54) CD38CYP3A4KCNH2RPS6KB1KDM4E
SCHEMBL6135290 0.70 ATM (0.61) KDM4EALDH1A1GAAPARP1KMT2A
SCHEMBL241943 0.69 RPS6KB1 (0.41) RPS6KB1KDM4EALDH1A1GAAPARP1
SCHEMBL355056 0.69 HSD17B1 (0.43) CD38CYP3A4KCNH2KDM4EALDH1A1
SCHEMBL634722 0.68 ATM (0.55) KDM4EALDH1A1GAAPARP1KMT2A
SCHEMBL8580446 0.66 KDM4E (0.50) KDM4EALDH1A1GAAPARP1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins HAX1, PRDX1, APOL1 CD38 3165/4885CYP3A4 1848/4885KCNH2 3921/4885

“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.