SCHEMBL6703209

SCHEMBL6703209

O=C1Cc2ccc(Br)cc2OC1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.37
SIRT1 Q96EB6 1/20 0.37
PBRM1 Q86U86 1/20 0.36
AR P10275 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AHR P35869 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CA2 P00918 1/20 0.35
CMA1 P23946 1/20 0.34
ADK P55263 1/20 0.34
METAP1 P53582 1/20 0.33
RAB9A P51151 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6711967 0.88 CYP19A1 (0.45) CYP19A1CYP2C9CYP2C19SIRT2SIRT1
SCHEMBL10360964 0.82 MAOB (0.49) CYP19A1ALDH1A1CA2
SCHEMBL13730471 0.82 CYP19A1 (0.49) CYP19A1CYP2C9CYP2C19ARALDH1A1
SCHEMBL130268 0.82 CYP19A1 (0.49) CYP19A1CYP2C9CYP2C19ARALDH1A1
SCHEMBL19746 0.81 CYP19A1 (0.45) CYP19A1ARALDH1A1CA2ADK
SCHEMBL11733122 0.80 CYP19A1 (0.44) CYP19A1ARALDH1A1CA2ADK
Methane SCHEMBL27973705 0.80 CYP19A1 (0.44) CYP19A1ARALDH1A1CA2ADK
SCHEMBL131516 0.79 CYP19A1 (0.52) CYP19A1ARALDH1A1
SCHEMBL11249388 0.79 PBRM1 (0.38) CYP19A1CYP2C9CYP2C19SIRT2PBRM1
SCHEMBL28691171 0.76 HTR6 (0.39) CYP19A1CYP2C9CYP2C19ALDH1A1CA2

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 CYP19A1 885/4885CYP2C9 522/4885CYP2C19 457/4885

“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.