SCHEMBL4067265

SCHEMBL4067265

CCNC(C)Cc1ccc2c(c1)OC(CNC(=O)OCc1ccccc1)O2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
NAAA Q02083 4/20 0.41
ATM Q13315 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACE P12821 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4059560 0.90 ATM (0.42) SIGMAR1NAAAATMACELMNA
SCHEMBL14491738 0.81 ATM (0.37) NAAAATMITGB3ITGAVHSD17B10
SCHEMBL4062356 0.80 ATM (0.38) NAAAATMITGB3ITGAVMAPT
SCHEMBL14491748 0.79 SYK (0.56) ATMMAPT
SCHEMBL4062785 0.79 ATM (0.39) NAAAATMMAPTL3MBTL1ACE
SCHEMBL13748451 0.79 SYK (0.41) NAAAATMITGB3ITGAVMAPT
SCHEMBL13748627 0.79 MAPT (0.40) NAAAATMMAPTACE
SCHEMBL13748614 0.77 SYK (0.43) NAAAITGB3ITGAVMAPTL3MBTL1
SCHEMBL4064776 0.73 THRB (0.38) SIGMAR1MAPTL3MBTL1LMNA
SCHEMBL4067268 0.71 CYP3A4 (0.46) SIGMAR1ATMTRPM8LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569676-B2 Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2009-08-04 US disclosed
EP-1498415-B1 Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs ROCHE DIAGNOSTICS GMBH (DE) 2007-06-27 EP disclosed
US-7060847-B2 Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2006-06-13 US disclosed
US-20050153439-A1 Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs GHOSHAL MITALI (US) 2005-07-14 US disclosed
US-20050014210-A1 Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs ROCHE DIAGNOSTICS CORPORATION 2005-01-20 US disclosed
EP-1498415-A1 Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs Roche Diagnostics GmbH (DE) 2005-01-19 EP 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-20050014210-A1 Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs DRD3, SLC6A3, DRD2 SIGMAR1 1003/4885NAAA 1266/4885ATM 4251/4885
US-20050153439-A1 Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs DRD3, SLC6A3, DRD2 SIGMAR1 1003/4885NAAA 1266/4885ATM 4251/4885

“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.