SCHEMBL355595

SCHEMBL355595

CCC(c1ccccc1)N(C(=O)c1cccc2cc(-c3ccc4c(C(N)=O)cccc4c3)ccc12)C(CC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
PARP1 P09874 4/20 0.38
TACR3 P29371 2/20 0.38
RPS6KB1 P23443 2/20 0.38
CXCR2 P25025 1/20 0.37
DGAT1 O75907 1/20 0.36
NR1I2 O75469 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
IKBKB O14920 1/20 0.35
PTPN1 P18031 1/20 0.35
AURKA O14965 1/20 0.34
MET P08581 1/20 0.34
KDR P35968 1/20 0.34
TEK Q02763 1/20 0.34
AURKB Q96GD4 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
SCHEMBL241944 0.80 KDM4E (0.44) KDM4EALDH1A1GAAPARP1TACR3
SCHEMBL634882 0.77 KDM4E (0.65) KDM4EALDH1A1GAAPARP1IKBKB
SCHEMBL634716 0.76 KDM4E (0.53) KDM4EALDH1A1GAAPARP1PTPN1
SCHEMBL353489 0.75 ALDH1A1 (0.53) KDM4EALDH1A1GAAPARP1SIRT2
SCHEMBL241110 0.74 NPC1 (0.53) KDM4EALDH1A1GAADGAT1KDR
SCHEMBL353378 0.73 F10 (0.48) KDM4EALDH1A1GAAPARP1RPS6KB1
SCHEMBL241109 0.70 KDM4E (0.41) KDM4EALDH1A1GAAPARP1TACR3
SCHEMBL355056 0.70 HSD17B1 (0.43) KDM4EALDH1A1GAAPARP1AURKA
SCHEMBL1952936 0.70 TRPM8 (0.63) TRPM8
SCHEMBL353582 0.69 KDM4E (0.48) KDM4EALDH1A1GAAPARP1SIRT2

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 TRPM8 1995/4885KDM4E 4564/4885ALDH1A1 3983/4885

“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.