SCHEMBL6819375

SCHEMBL6819375

O=Cc1c(C(Cl)Cl)ccc2cc(Br)ccc12

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.59
CYP2A6 P11509 4/20 0.36
NCEH1 Q6PIU2 2/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
GSK3B P49841 1/20 0.32

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
SCHEMBL21679520 0.78 ERN1 (0.65) ERN1CYP2A6NCEH1KDM4EALDH1A1
SCHEMBL6819911 0.76 ERN1 (0.38) ERN1CYP2A6NCEH1KDM4EALDH1A1
SCHEMBL1414921 0.75 ERN1 (1.00) ERN1KDM4EALDH1A1MEN1MAPT
SCHEMBL6819304 0.72 ERN1 (0.35) ERN1CYP2A6NCEH1KDM4EALDH1A1
SCHEMBL6816438 0.72 PARP1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL38663463 0.71 ERN1 (0.59) ERN1CYP2A6KDM4EALDH1A1MEN1
SCHEMBL3008338 0.71 ERN1 (0.59) ERN1NCEH1KDM4EALDH1A1MEN1
SCHEMBL30067006 0.71 ERN1 (0.59) ERN1NCEH1KDM4EALDH1A1MEN1
SCHEMBL6819984 0.69 ERN1 (0.35) ERN1CYP2A6NCEH1KDM4EALDH1A1
SCHEMBL5755025 0.69 ERN1 (0.52) ERN1NCEH1KDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0995734-B1 Method for production of halogen-containing aromatic compound NIPPON CATALYTIC CHEM IND (JP) 2004-05-12 EP disclosed
US-6433231-B2 BROMINATION THE CORRESPONDING NAPHTHALENE HALOGEN COMPOUND NIPPON SHOKUBAI CO., LTD. (JP) 2002-08-13 US disclosed
US-20010045350-A1 Method for production of halogen-containing aromatic compound NIPPON SHOKUBAI CO., LTD., A JAPAN CORPORATION 2001-11-29 US disclosed
US-6288290-B1 BROMINATION AND PHOTOBROMINATION OF AROMATIC COMPOUNDS NIPPON SHOKUBAI, CO., LTD. (JP) 2001-09-11 US disclosed
EP-0995734-A1 Method for production of halogen-containing aromatic compound Nippon Shokubai Co., Ltd. (JP) 2000-04-26 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-20010045350-A1 Method for production of halogen-containing aromatic compound CBR1, CBR3, DCXR ERN1 1246/4885CYP2A6 989/4885NCEH1 581/4885

“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.