SCHEMBL6576561

SCHEMBL6576561

O=C(O)c1ccc(C(OCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.54
NR4A1 P22736 1/20 0.54
NR4A3 Q92570 1/20 0.54
SRD5A2 P31213 3/20 0.50
PLA2G4B P0C869 1/20 0.48
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RXRA P19793 5/20 0.47
RXRB P28702 4/20 0.47
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RXRG P48443 2/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL1586340 0.88 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL6573433 0.88 SLC1A3 (0.45) NR4A2NR4A1NR4A3SRD5A2SLC1A3
SCHEMBL9292657 0.84 CNR1 (0.48) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL9291604 0.84 SLC6A2 (0.50) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL6572713 0.83 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL10584101 0.83 NR4A1 (0.57) NR4A2NR4A1NR4A3SRD5A2CYP1A2
SCHEMBL5122883 0.81 CNR2 (0.54) MEN1KMT2ATSHR
SCHEMBL27717399 0.81 NR4A1 (0.54) NR4A2NR4A1NR4A3SRD5A2PLA2G4B
SCHEMBL27297614 0.79 SLC1A2 (0.61) NR4A2NR4A1NR4A3SRD5A2PLA2G4B
SCHEMBL9475960 0.77 ALDH1A1 (0.56) NR4A2NR4A1NR4A3SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973537-A4 COCAETHYLENE IMMUNOGENS AND ANTIBODIES DRUGABUSE SCIENCES S A S (FR) 2004-12-01 EP disclosed
US-6541004-B1 Cocaethylene immunogens and antibodies DRUGABUSE SCIENCES, INC. 2003-04-01 US disclosed
US-20020102659-A1 Cocaethylene immunogens and antibodies DRUGABUSE SCIENCES S.A.S. (FR) 2002-08-01 US disclosed
US-6114508-A 2-CARBOXYETHYL-3-BENZOYLOXY-N-METHYLTROPANE DERIVATIVES; COCAINE DETOXIFICATION; VACCINES DRUGABUSE SCIENCES, INC. (US) 2000-09-05 US disclosed
EP-0973537-A1 COCAETHYLENE IMMUNOGENS AND ANTIBODIES DrugAbuse Sciences S.A.S. (FR) 2000-01-26 EP disclosed
US-5817770-A N-METHYLTROPANE, 2-CARBOXYETHYL- OR N-ETHYLCARBOXAMIDE, 3-BENZOYLOXY- OR BENZAMIDO- DRUG ABUSE SCIENCES, INC. (US) 1998-10-06 US disclosed
WO-1998042359-A1 COCAETHYLENE IMMUNOGENS AND ANTIBODIES DRUG ABUSE SCIENCES, INC. (US) 1998-10-01 WO 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-20020102659-A1 Cocaethylene immunogens and antibodies CES2, BCHE, ERP44 NR4A2 1992/4885NR4A1 1974/4885NR4A3 1443/4885

“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.