SCHEMBL12266403

SCHEMBL12266403

CCc1ccc(B(OCCNCc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.46
LYPLA1 O75608 1/20 0.45
LYPLA2 O95372 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TRPM2 O94759 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
MAOA P21397 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
SCHEMBL12270753 0.89 DRD4 (0.44) DRD4MEN1KMT2ATDP1ALDH1A1
SCHEMBL13383648 0.86 DRD4 (0.46) DRD4LYPLA1LYPLA2MEN1KMT2A
SCHEMBL12266308 0.84 ALDH1A1 (0.53) DRD4LYPLA1LYPLA2MEN1KMT2A
SCHEMBL12266395 0.84 LYPLA1 (0.44) DRD4LYPLA1LYPLA2MEN1KMT2A
SCHEMBL12271034 0.84 LYPLA1 (0.48) LYPLA1LYPLA2MEN1KMT2ATDP1
SCHEMBL12271008 0.81 LYPLA1 (0.46) LYPLA1LYPLA2MEN1KMT2ATDP1
SCHEMBL2407948 0.79 DRD4 (0.49) DRD4MEN1KMT2ATDP1DRD2
SCHEMBL12270682 0.77 HPGD (0.73) LYPLA1LYPLA2MEN1KMT2ATDP1
SCHEMBL2407448 0.76 DRD4 (0.47) DRD4MEN1KMT2ATDP1KDM4E
SCHEMBL12270760 0.76 DRD4 (0.45) DRD4MEN1KMT2ATDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 DRD4 4304/4885LYPLA1 1153/4885LYPLA2 1988/4885

“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.