SCHEMBL6711967

SCHEMBL6711967

O=C1Cc2cc(Br)ccc2OC1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.45
AR P10275 4/20 0.41
SIRT1 Q96EB6 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PBRM1 Q86U86 1/20 0.39
MAOB P27338 5/20 0.36
KDM4E B2RXH2 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AHR P35869 1/20 0.35
CA2 P00918 1/20 0.35
ALDH1A1 P00352 1/20 0.35
APP P05067 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL11249388 0.91 PBRM1 (0.38) CYP19A1ARSIRT2CYP2C9CYP2C19
SCHEMBL6703209 0.88 CYP19A1 (0.42) CYP19A1ARSIRT1SIRT2CYP2C9
SCHEMBL126600 0.82 AR (0.52) CYP19A1ARCYP2C9CYP2C19MAOB
SCHEMBL6700954 0.82 CYP19A1 (0.45) CYP19A1ARSIRT1MAOBKDM4E
SCHEMBL10360821 0.82 MAOB (0.49) CYP19A1ARMAOBKDM4EADORA3
SCHEMBL11247779 0.82 MAOB (0.49) CYP19A1ARSIRT2MAOBALDH1A1
SCHEMBL19746 0.81 CYP19A1 (0.45) CYP19A1ARMAOBKDM4EADORA3
SCHEMBL10360806 0.80 ALDH1A1 (0.51) ARMAOBKDM4EALDH1A1MEN1
SCHEMBL11733122 0.80 CYP19A1 (0.44) CYP19A1ARMAOBKDM4EADORA3
Methane SCHEMBL27973705 0.80 CYP19A1 (0.44) CYP19A1ARMAOBKDM4EADORA3

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 2 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

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 CYP19A1 885/4885AR 3497/4885SIRT1 2394/4885

“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.