SCHEMBL6700946

SCHEMBL6700946

O=C1CC(c2ccccc2)Oc2ccc(Cl)cc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.69
MAOB P27338 11/20 0.67
CYP19A1 P11511 3/20 0.67
ADORA3 P0DMS8 2/20 0.67
KDM4E B2RXH2 1/20 0.67
HSD17B10 Q99714 1/20 0.67
ABCB1 P08183 1/20 0.64
ABCG2 Q9UNQ0 1/20 0.64
STS P08842 1/20 0.59
MAOA P21397 1/20 0.57
PSMB5 P28074 1/20 0.57
MAPT P10636 2/20 0.56
GUSB P08236 1/20 0.56
ALDH1A1 P00352 1/20 0.56
PKM P14618 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 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
SCHEMBL10536102 0.92 AR (0.63) ARMAOBCYP19A1ADORA3KDM4E
SCHEMBL6700953 0.88 MAOB (0.69) ARMAOBCYP19A1ADORA3KDM4E
SCHEMBL6699546 0.84 AR (0.73) ARMAOBCYP19A1ADORA3KDM4E
SCHEMBL11242828 0.84 AR (0.70) ARMAOBCYP19A1KDM4EHSD17B10
SCHEMBL10534793 0.84 AR (0.50) ARMAOBCYP19A1ADORA3KDM4E
SCHEMBL11049080 0.83 MAOB (0.79) ARMAOBCYP19A1ADORA3KDM4E
SCHEMBL11049084 0.83 MAOB (0.79) ARMAOBCYP19A1ADORA3KDM4E
SCHEMBL13965321 0.83 MAOB (0.50) ARMAOBCYP19A1ADORA3KDM4E
SCHEMBL10362227 0.82 AR (1.00) ARMAOBCYP19A1ADORA3KDM4E
SCHEMBL14053522 0.82 AR (0.74) ARMAOBCYP19A1ADORA3KDM4E

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-20040147597-A1 Anti-mycobacterium compositions and methods of preparing and using same ADVANCED LIFE SCIENCES, INC. 2004-07-29 US disclosed
US-6677350-B1 ADMINISTERING CHALCONE-LIKE VINYLCARBONYL COMPOUNDS TO PREVENT OR TREAT MYCOBACTERIUM INFECTIONS/TUBERCULOSIS ADVANCED LIFE SCIENCES, INC. 2004-01-13 US disclosed
US-4874869-A TREATMENT OF DIABETIC COMPLICATIONS, CATARACTS EISAI CO., LTD. (JP) 1989-10-17 US disclosed
US-4461907-A Amino-substituted flavans useful as anti-viral agents BURROUGHS WELLCOME CO. 1984-07-24 US disclosed
EP-0004579-B1 FLAVANS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1982-08-18 EP disclosed
EP-0051061-A2 Novel intermediates and process for their preparation THE WELLCOME FOUNDATION LIMITED (GB) 1982-05-05 EP disclosed
EP-0004579-A1 Flavans, process for their preparation and pharmaceutical compositions containing them THE WELLCOME FOUNDATION LIMITED (GB) 1979-10-17 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-20040147597-A1 Anti-mycobacterium compositions and methods of preparing and using same IMMT, CYP51A1, LSS AR 3497/4885MAOB 1715/4885CYP19A1 885/4885

“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.