SCHEMBL8749477

SCHEMBL8749477

COc1ccc2ccc(Cl)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.61
CYP1A2 P05177 1/20 0.61
FLT3 P36888 2/20 0.53
RAB9A P51151 1/20 0.52
PDGFRB P09619 1/20 0.49
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
NOX1 Q9Y5S8 1/20 0.47
RELA Q04206 1/20 0.46
KDM4E B2RXH2 1/20 0.46
AHR P35869 1/20 0.46
GSTP1 P09211 1/20 0.46
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
CYP17A1 P05093 1/20 0.45
CYP11B2 P19099 1/20 0.45

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
SCHEMBL7694434 0.96 CYP2A6 (0.60) CYP2A6CYP1A2FLT3RAB9APDGFRB
SCHEMBL29367032 0.86 CYP2A6 (0.80) CYP2A6CYP1A2RAB9AHSD17B1HSD17B2
SCHEMBL443528 0.86 CYP2A6 (0.80) CYP2A6CYP1A2RAB9AHSD17B1HSD17B2
SCHEMBL6891918 0.81 CYP1A2 (0.71) CYP2A6CYP1A2RAB9AHSD17B1HSD17B2
SCHEMBL7452675 0.81 CYP1A2 (0.71) CYP2A6CYP1A2RAB9AHSD17B1HSD17B2
SCHEMBL29919511 0.81 CYP1A2 (0.71) CYP2A6CYP1A2RAB9AHSD17B1HSD17B2
SCHEMBL7456084 0.81 CYP1A2 (0.71) CYP2A6CYP1A2RAB9AHSD17B1HSD17B2
SCHEMBL2249185 0.81 CYP1A2 (0.71) CYP2A6CYP1A2RAB9AHSD17B1HSD17B2
SCHEMBL7451812 0.81 CYP1A2 (0.71) CYP2A6CYP1A2RAB9AHSD17B1HSD17B2
SCHEMBL443070 0.81 CYP1A2 (0.79) CYP2A6CYP1A2RAB9AHSD17B1HSD17B2

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
US-20230150929-A1 SELECTIVE NON-CYCLIC NUCLEOTIDE ACTIVATORS FOR THE CAMP SENSOR EPAC1 UNIV TEXAS (US) 2023-05-18 US disclosed
US-20230150929-A1 SELECTIVE NON-CYCLIC NUCLEOTIDE ACTIVATORS FOR THE CAMP SENSOR EPAC1 UNIV TEXAS (US) 2023-05-18 US disclosed
EP-0416038-B1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED TROPIX INC (US) 1997-03-26 EP disclosed
EP-0416038-A4 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED 1992-02-26 EP disclosed
EP-0416038-A1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED. TROPIX INC (US) 1991-03-13 EP disclosed
US-4952707-A DECOMPOSITION TO LIGHT EMITTING FLUOROPHORE; ANALYSIS TROPIX, INC. (US) 1990-08-28 US disclosed
WO-1990000164-A1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED TROPIX, INC. (US) 1990-01-11 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-20230150929-A1 SELECTIVE NON-CYCLIC NUCLEOTIDE ACTIVATORS FOR THE CAMP SENSOR EPAC1 CREB1, RAPGEF4, ATF4 CYP2A6 3695/4885CYP1A2 4431/4885FLT3 4208/4885

“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.