SCHEMBL5141444

SCHEMBL5141444

COc1ccc2c(O)c(-c3ccccc3)c(=O)oc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.71
ALDH1A1 P00352 6/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
NQO1 P15559 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
KDM4E B2RXH2 5/20 0.59
MAPT P10636 4/20 0.59
LMNA P02545 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CYP19A1 P11511 3/20 0.59
TNKS O95271 1/20 0.59
NPC1 O15118 5/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
CYP3A4 P08684 2/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55

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
SCHEMBL5426832 0.92 MAOB (0.75) MAOBALDH1A1CYP2C9CYP2C19NQO1
SCHEMBL11479069 0.89 MAOB (0.71) MAOBALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL38652382 0.88 MAOB (0.73) MAOBALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7117556 0.87 ALDH1A1 (0.67) MAOBALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7122333 0.85 NPC1 (0.68) MAOBALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7117813 0.85 ALDH1A1 (0.64) MAOBALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL28085675 0.85 MAOB (0.65) MAOBALDH1A1KDM4EMAPTLMNA
SCHEMBL11485562 0.83 MAOB (1.00) MAOBALDH1A1NQO1CA1CA2
SCHEMBL13819275 0.82 ALDH1A1 (0.63) MAOBALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL11478035 0.81 ERAP1 (0.74) MAOBALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240060096-A1 COMPOSITIONS AND METHODS FOR PRODUCING 1,8-DIHYDROXYNAPHTHALENE AND CYCLIC HYDROCARBONS FROM 1,8-DIHYDROXYNAPHTHALENE TECH HOLDING LLC (US) 2024-02-22 US disclosed
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 WO disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 WO disclosed
US-4230850-A HYPOTENSIVE AGENTS, VASODILATION LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1980-10-28 US 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 MAOB 1213/4885ALDH1A1 2000/4885CYP1A2 319/4885

“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.