SCHEMBL18182129

SCHEMBL18182129

COC(=O)Oc1ccccc1CBr

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
KDM4E B2RXH2 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HTT P42858 1/20 0.45
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HIF1A Q16665 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL1836051 0.85 HPGD (0.58) HPGDKDM4EHSD17B10HTTMTNR1A
SCHEMBL27674000 0.84 ALOX15 (0.46) HPGDHTTTSHRALDH1A1MEN1
SCHEMBL7620644 0.82 ALOX15 (0.45) HPGDKDM4EHSD17B10HTTTSHR
SCHEMBL2791448 0.81 PTGS2 (0.52) HPGDKDM4EHSD17B10TSHRALDH1A1
SCHEMBL11709421 0.81 ACHE (0.58) HPGDKDM4EHSD17B10HTTTSHR
SCHEMBL18050491 0.81 KDM4E (0.53) HPGDKDM4EHSD17B10MTNR1AMTNR1B
SCHEMBL1836742 0.81 KDM4E (0.53) HPGDKDM4EHSD17B10MTNR1AMTNR1B
SCHEMBL11925422 0.80 KDM4E (0.70) HPGDKDM4EHSD17B10HTTMTNR1A
SCHEMBL6353496 0.79 KDM4E (0.49) KDM4EMTNR1BTSHRMEN1KMT2A
SCHEMBL11809940 0.79 HPGD (0.51) HPGDKDM4EHSD17B10HTTMTNR1A

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-9573904-B2 Aromatic compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-21 US disclosed
US-20160311775-A1 AROMATIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-10-27 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-20160311775-A1 AROMATIC COMPOUND AND USE THEREOF ZCCHC8, CBR3, CBX8 HPGD 4638/4885KDM4E 2107/4885HSD17B10 2873/4885

“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.