SCHEMBL355056

SCHEMBL355056

Cc1cc(C)c(CN(Cc2c(C)cc(C)cc2C)C(=O)c2cccc3cc(-c4ccc5c(C(N)=O)cccc5c4)ccc23)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
PARP1 P09874 5/20 0.42
CD38 P28907 2/20 0.37
F2 P00734 2/20 0.36
F10 P00742 2/20 0.36
F7 P08709 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
CYP3A4 P08684 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDR P35968 5/20 0.35
AURKA O14965 4/20 0.35
MET P08581 4/20 0.35
TEK Q02763 4/20 0.35
AURKB Q96GD4 4/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL353654 0.85 HSD17B2 (0.43) HSD17B1HSD17B2KDM4EALDH1A1GAA
SCHEMBL634882 0.79 KDM4E (0.65) HSD17B1HSD17B2KDM4EALDH1A1GAA
SCHEMBL352442 0.78 F2 (0.42) KDM4EALDH1A1GAAPARP1F2
SCHEMBL634716 0.78 KDM4E (0.53) HSD17B1HSD17B2KDM4EALDH1A1GAA
SCHEMBL353378 0.75 F10 (0.48) KDM4EALDH1A1GAAPARP1F2
SCHEMBL14134550 0.75 HPGD (0.47) HSD17B1HSD17B2KDM4EALDH1A1PARP1
SCHEMBL241944 0.74 KDM4E (0.44) KDM4EALDH1A1GAAPARP1F2
SCHEMBL10274480 0.73 KDM4E (0.61) KDM4EALDH1A1GAAPARP1KDR
SCHEMBL353489 0.72 ALDH1A1 (0.53) HSD17B1HSD17B2KDM4EALDH1A1GAA
SCHEMBL14134468 0.70 PARP1 (0.47) HSD17B1HSD17B2PARP1KDR

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 HSD17B1 569/4885HSD17B2 992/4885KDM4E 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.