SCHEMBL6703206

SCHEMBL6703206

O=C1C[C@H](c2ccccc2)Oc2c(Br)cccc21

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.59
CYP19A1 P11511 5/20 0.59
AR P10275 4/20 0.59
ADORA3 P0DMS8 2/20 0.59
KDM4E B2RXH2 2/20 0.59
HSD17B10 Q99714 2/20 0.59
NPC1 O15118 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
SLC22A12 Q96S37 1/20 0.48
ABCB1 P08183 2/20 0.48
ABCG2 Q9UNQ0 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
MAOA P21397 1/20 0.48
PSMB5 P28074 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
SCHEMBL9205670 0.81 CYP19A1 (0.59) MAOBCYP19A1ARADORA3KDM4E
SCHEMBL130267 0.81 CYP19A1 (0.59) MAOBCYP19A1ARADORA3KDM4E
SCHEMBL10360963 0.81 MAOB (0.59) MAOBCYP19A1ARADORA3KDM4E
SCHEMBL1242979 0.81 KDM4E (0.65) MAOBCYP19A1ARADORA3KDM4E
SCHEMBL8677834 0.79 MAOB (0.56) MAOBCYP19A1ARADORA3KDM4E
SCHEMBL23704398 0.79 CYP19A1 (0.41) MAOBCYP19A1ARADORA3KDM4E
SCHEMBL31110769 0.78 PBRM1 (0.50) MAOBARSLC22A12MAOA
SCHEMBL23980947 0.77 HSD17B10 (0.64) MAOBCYP19A1ARADORA3KDM4E
SCHEMBL8680968 0.76 MAOB (0.52) MAOBCYP19A1ARADORA3KDM4E
SCHEMBL8680966 0.76 MAOB (0.52) MAOBCYP19A1ARADORA3KDM4E

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 4 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
EP-1217995-A2 ANTI-MYCOBACTERIUM COMPOSITIONS AND METHODS OF PREPARING AND USING SAME Advanced Life Sciences Inc. (US) 2002-07-03 EP disclosed
WO-2001021164-A2 ANTI-MYCOBACTERIUM COMPOSITIONS AND METHODS OF PREPARING AND USING SAME ADVANCED LIFE SCIENCES, INC. (US) 2001-03-29 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-20040147597-A1 Anti-mycobacterium compositions and methods of preparing and using same IMMT, CYP51A1, LSS MAOB 1715/4885CYP19A1 885/4885AR 3497/4885

“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.