SCHEMBL7078432

SCHEMBL7078432

COc1ccc(CBr)cc1C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
CFD P00746 1/20 0.45
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
MEN1 O00255 1/20 0.43
LDHA P00338 1/20 0.42
GAA P10253 1/20 0.42
ACHE P22303 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7597341 0.88 MRGPRX4 (0.57) MRGPRX4CYP4F2CYP4A11CFDMAPT
SCHEMBL18310131 0.86 SMN1; SMN2 (0.47) CYP4F2CYP4A11HTTLMNAMAPT
SCHEMBL31119031 0.85 HPGD (0.54) MRGPRX4CYP4F2CYP4A11HTTLMNA
SCHEMBL1287529 0.85 HPGD (0.54) MRGPRX4CYP4F2CYP4A11HTTLMNA
SCHEMBL19640035 0.85 CFD (0.64) CYP4F2CYP4A11CFDLMNAMAPT
SCHEMBL18782458 0.84 DRD2 (0.48) MRGPRX4HTTLMNAMAPTSMN1; SMN2
SCHEMBL3808251 0.81 CYP4F2 (0.45) MRGPRX4CYP4F2CYP4A11HTTLMNA
SCHEMBL2950901 0.81 DRD2 (0.50) LMNASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4052165 0.81 CYP4F2 (0.67) CYP4F2CYP4A11HTTLMNAMAPT
SCHEMBL4099240 0.80 AKT1 (0.49) MRGPRX4HTTLMNAMAPTSMN1; SMN2

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-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof PAYNE LINDA S (US) 2003-12-11 US disclosed
EP-1196384-A4 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF MERCK & CO INC (US) 2002-10-23 EP disclosed
EP-1196384-A1 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF Merck & Co., Inc. (US) 2002-04-17 EP disclosed
WO-2001000578-A1 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF MERCK & CO., INC. (US) 2001-01-04 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-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof CYP2S1, IMPDH1, IDO1 MRGPRX4 4400/4885CYP4F2 1592/4885CYP4A11 595/4885

“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.