SCHEMBL5610107

SCHEMBL5610107

COc1ccc(Br)c(C)c1C(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.45
ALDH1A1 P00352 1/20 0.43
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37

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
SCHEMBL29244191 0.85 CA9 (0.45) ALDH1A1CA9CA12CA1CA2
SCHEMBL5609906 0.84 CA12 (0.55) ERN1ALDH1A1CA9CA12CA1
SCHEMBL18857970 0.84 CYP3A4 (0.47) ERN1ALDH1A1CA9CA12CA1
SCHEMBL11521097 0.82 TSHR (0.44) ERN1ALDH1A1CA9CA12CA1
SCHEMBL7524030 0.82 ALDH1A1 (0.43) ERN1ALDH1A1CA9CA12CA1
SCHEMBL3973107 0.82 ERN1 (0.45) ERN1ALDH1A1CA9CA12CA1
SCHEMBL12263404 0.79 ERN1 (0.42) ERN1ALDH1A1CA9CA12CA1
SCHEMBL422456 0.79 ALDH1A1 (0.43) ERN1ALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL21828024 0.78 ERN1 (0.45) ERN1ALDH1A1CA9CA12CA1
SCHEMBL1534068 0.78 LMNA (0.50) ALDH1A1CA9CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111943823-A Preparation method of metrafenone 安徽工业大学 2020-11-17 CN claimed
CN-111943823-A Preparation method of metrafenone 安徽工业大学 2020-11-17 CN disclosed
US-7253323-B2 Method for the production of benzophenones BASF AKTIENGESELLSCHAFT (DE) 2007-08-07 US disclosed
US-7253323-B2 Method for the production of benzophenones BASF AKTIENGESELLSCHAFT (DE) 2007-08-07 US disclosed
US-7253323-B2 Method for the production of benzophenones BASF AKTIENGESELLSCHAFT (DE) 2007-08-07 US disclosed
EP-1572613-B1 METHOD FOR THE PRODUCTION OF BENZOPHENONES BASF AG (DE) 2006-08-16 EP disclosed
US-20060009659-A1 Method for the production of benzophenonen BASF AKTIENGESELLSCHAFT (DE) 2006-01-12 US disclosed
EP-1572613-A1 METHOD FOR THE PRODUCTION OF BENZOPHENONES BASF AKTIENGESELLSCHAFT (DE) 2005-09-14 EP disclosed
WO-2004054953-A1 METHOD FOR THE PRODUCTION OF BENZOPHENONES BASF AKTIENGESELLSCHAFT (DE) 2004-07-01 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-20060009659-A1 Method for the production of benzophenonen CYP1B1, CYP2B6, AOC2 ERN1 2352/4885ALDH1A1 792/4885CA9 1321/4885

“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.