SCHEMBL16913033

SCHEMBL16913033

COc1cc(CC(=O)C(C)C)c(C(=O)c2ccc(Br)cc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
HPGD P15428 3/20 0.48
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CASP3 P42574 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 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
SCHEMBL15570068 0.86 CYP3A4 (0.54) KMT2AHPGDPOLBNPSR1MAPT
SCHEMBL5484957 0.85 KMT2A (0.49) KMT2AHPGDPOLBNPSR1MAPT
SCHEMBL16913114 0.84 KMT2A (0.48) KMT2AHPGDPOLBNPSR1MAPT
SCHEMBL5494653 0.77 HPGD (0.57) KMT2AHPGDNPSR1MAPTMEN1
SCHEMBL21102085 0.75 MTNR1A (0.51) KMT2APOLBCYP3A4
SCHEMBL5484960 0.75 KMT2A (0.49) KMT2AHPGDPOLBNPSR1MAPT
SCHEMBL5494651 0.75 HPGD (0.55) KMT2AHPGDNPSR1MAPTMEN1
SCHEMBL5490882 0.75 MAPT (0.59) KMT2AHPGDPOLBNPSR1MAPT
SCHEMBL6615739 0.73 KMT2A (0.54) KMT2AHPGDPOLBNPSR1MAPT
SCHEMBL16361704 0.73 CYP3A4 (0.50) KMT2AHPGDPOLBNPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 US disclosed
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 US disclosed
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 US disclosed
EP-2885286-B1 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2017-03-22 EP disclosed
EP-2885286-B1 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2017-03-22 EP disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 US disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 US disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 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-20150203483-A1 2,3-BENZODIAZEPINES BRD4, BET1, BRDT KMT2A 108/4885HPGD 3963/4885POLB 120/4885

“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.