SCHEMBL4071418

SCHEMBL4071418

CCNC(C)Cc1ccc(O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.61
ALOX12 P18054 5/20 0.61
KDM4E B2RXH2 4/20 0.61
MAPK1 P28482 4/20 0.61
LMNA P02545 4/20 0.61
CYP3A4 P08684 3/20 0.61
HIF1A Q16665 3/20 0.61
HSD17B10 Q99714 3/20 0.61
HTR2A P28223 3/20 0.61
ADRA1A P35348 3/20 0.61
DRD3 P35462 3/20 0.61
OPRK1 P41145 3/20 0.61
MAPT P10636 3/20 0.61
MEN1 O00255 2/20 0.61
ALDH1A1 P00352 2/20 0.61
ESR1 P03372 2/20 0.61
TP53 P04637 2/20 0.61
HPGD P15428 2/20 0.61
RECQL P46063 2/20 0.61
KMT2A Q03164 2/20 0.61

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
Bromide SCHEMBL31545349 0.98 ALOX15 (0.59) ALOX15ALOX12KDM4EMAPK1LMNA
SCHEMBL28901558 0.83 SLC6A4 (0.58) ALOX15ALOX12KDM4EMAPK1LMNA
SCHEMBL31545704 0.82 FOS (0.67) ALOX15ALOX12MAPK1LMNACYP3A4
SCHEMBL21518117 0.82 PLA2G1B (0.58) ALOX15ALOX12KDM4EMAPK1LMNA
SCHEMBL2738991 0.81 ALOX15 (0.66) ALOX15ALOX12KDM4EMAPK1LMNA
SCHEMBL2956883 0.81 ALOX15 (0.66) ALOX15ALOX12KDM4EMAPK1LMNA
SCHEMBL9435002 0.81 ALOX15 (0.66) ALOX15ALOX12KDM4EMAPK1LMNA
SCHEMBL29462572 0.81 ALOX15 (0.66) ALOX15ALOX12KDM4EMAPK1LMNA
SCHEMBL2738921 0.81 SLC6A4 (0.57) ALOX15ALOX12KDM4EMAPK1LMNA
SCHEMBL23640050 0.80 ALOX15 (0.54) ALOX15ALOX12KDM4EMAPK1LMNA

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 8 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
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
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 ALOX15 2688/4885ALOX12 2796/4885KDM4E 1218/4885
US-20050153439-A1 Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs DRD3, SLC6A3, DRD2 ALOX15 2688/4885ALOX12 2796/4885KDM4E 1218/4885

“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.