SCHEMBL5873149

SCHEMBL5873149

O=C(CC(=O)c1cccc(Br)c1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
MAPT P10636 3/20 0.65
CYP3A4 P08684 2/20 0.65
HPGD P15428 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
KDM4E B2RXH2 1/20 0.65
ALOX15 P16050 1/20 0.65
CES1 P23141 1/20 0.65
MAPK1 P28482 1/20 0.65
NPC1 O15118 5/20 0.55
RAB9A P51151 4/20 0.55
PARP1 P09874 1/20 0.55
ALDH1A1 P00352 5/20 0.53
PLOD2 O00469 1/20 0.53
PLOD3 O60568 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL30758864 0.94 PARP1 (0.61) MEN1KMT2ASMN1; SMN2MAPTCYP3A4
SCHEMBL1162756 0.89 PARP1 (0.55) MEN1KMT2ASMN1; SMN2MAPTCYP3A4
SCHEMBL5873147 0.86 KMT2A (0.68) MEN1KMT2ASMN1; SMN2MAPTCYP3A4
SCHEMBL4834885 0.86 MEN1 (0.81) MEN1KMT2ASMN1; SMN2MAPTCYP3A4
SCHEMBL2822591 0.83 L3MBTL1 (0.56) MEN1KMT2ASMN1; SMN2MAPTCYP3A4
SCHEMBL751516 0.82 HPGD (0.74) MEN1KMT2ASMN1; SMN2MAPTCYP3A4
SCHEMBL931177 0.81 MAPT (0.57) MEN1KMT2ASMN1; SMN2MAPTKDM4E
Dibenzoylmethane SCHEMBL39582 0.81 MEN1 (1.00) MEN1KMT2ASMN1; SMN2MAPTCYP3A4
Dibenzoylmethane SCHEMBL10356288 0.81 MEN1 (1.00) MEN1KMT2ASMN1; SMN2MAPTCYP3A4
Dibenzoylmethane SCHEMBL1704711 0.81 MEN1 (1.00) MEN1KMT2ASMN1; SMN2MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105503945-A Method for preparing 2-phosphonic acid ester base-1, 3-dicarbonyl derivative UNIV SOOCHOW 2016-04-20 CN claimed
US-7067702-B2 Process for preparing vinyl substituted beta-diketones THE JOHNS HOPKINS UNIVERSITY (US) 2006-06-27 US claimed
US-20060069288-A1 Process for preparing vinyl substituted beta-diketones THE JOHNS HOPKINS UNIVERSITY 2006-03-30 US claimed
CN-105503945-B A kind of method for preparing the Dicarbonyl derivatives of 2 phosphonate group 1,3 苏州大学 2017-09-05 CN disclosed
CN-105503945-A Method for preparing 2-phosphonic acid ester base-1, 3-dicarbonyl derivative UNIV SOOCHOW 2016-04-20 CN disclosed
US-7067702-B2 Process for preparing vinyl substituted beta-diketones THE JOHNS HOPKINS UNIVERSITY (US) 2006-06-27 US disclosed
US-20060069288-A1 Process for preparing vinyl substituted beta-diketones THE JOHNS HOPKINS UNIVERSITY 2006-03-30 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-20060069288-A1 Process for preparing vinyl substituted beta-diketones VRK1, VRK2, DEK MEN1 2957/4885KMT2A 1338/4885SMN1; SMN2 4225/4885

“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.