SCHEMBL6768917

SCHEMBL6768917

Oc1cccc(CC(O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.56
DRD2 P14416 1/20 0.52
DRD1 P21728 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
CYP3A4 P08684 2/20 0.50
CYP1A2 P05177 1/20 0.50
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 2/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
CA12 O43570 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CA2 P00918 1/20 0.48
CA5A P35218 1/20 0.48

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
Gepefrine SCHEMBL265538 0.83 TAAR1 (0.61) ENPP2DRD2DRD1TAAR1CYP3A4
Gepefrine SCHEMBL2562808 0.83 TAAR1 (0.61) ENPP2DRD2DRD1TAAR1CYP3A4
Gepefrine SCHEMBL30011768 0.83 TAAR1 (0.61) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL19354447 0.83 CHRM2 (0.53) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL1044777 0.83 ENPP2 (0.57) ENPP2DRD2DRD1TAAR1CYP3A4
Gepefrine SCHEMBL149774 0.83 TAAR1 (0.61) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL629959 0.83 CHRM2 (0.53) ENPP2DRD2DRD1TAAR1CYP3A4
Gepefrine SCHEMBL2903935 0.81 TAAR1 (0.59) ENPP2DRD2DRD1TAAR1LMNA
Gepefrine SCHEMBL2903938 0.81 TAAR1 (0.59) ENPP2DRD2DRD1TAAR1LMNA
SCHEMBL7791226 0.81 ENPP2 (0.50) ENPP2DRD2DRD1TAAR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220168383-A1 NEUROTENSINERGIC AGONISTS AND METHODS OF USING SAME PREVENTING OR TREATING PAIN SOCPRA SCIENCES SANTÉ ET HUMAINES S.E.C. (CA) 2022-06-02 US disclosed
US-6726911-B1 SOLVENT EXTRACT; MICROBIOCIDES; ENDOPEPTIDASE, ANGIOTENSIN CONVERTING ENZYME AND SERUM-MEDIATED-BINDING OF LIPOPOLYSACCHARIDE INHIBITORS GANOMYCIN (DE) 2004-04-27 US disclosed
EP-1158995-B1 BIOLOGICALLY ACTIVE COMPOUNDS OF GANODERMA PFEIFFERI DMS 13239 GANOMYCIN GES FUER BIOMEDIZINI (DE) 2003-06-18 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 (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-20220168383-A1 NEUROTENSINERGIC AGONISTS AND METHODS OF USING SAME PREVENTING OR TREATING PAIN VIP, NTSR2, VIPR2 ENPP2 830/4885DRD2 979/4885DRD1 1611/4885

“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.