SCHEMBL6573433

SCHEMBL6573433

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 3/20 0.45
GLRA1 P23415 1/20 0.45
LMNA P02545 2/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 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
SCHEMBL6576561 0.88 NR4A2 (0.54) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL1586340 0.85 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL9291604 0.84 SLC6A2 (0.50) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL9292657 0.81 CNR1 (0.48) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL10584101 0.80 NR4A1 (0.57) CYP1A2CYP2C19LMNANR4A1NR4A2
SCHEMBL6572713 0.80 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL8870449 0.79 ALDH1A1 (0.52) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL5122883 0.79 CNR2 (0.54) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL10334664 0.77 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL27962636 0.75 TSHR (0.58) KMT2AALDH1A1GLRA1LMNANR4A1

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 SLC1A3 553/4885SLC1A2 510/4885SLC1A1 454/4885

“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.