SCHEMBL12266409

SCHEMBL12266409

CCc1ccc(B(OCCN2CCCCC2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.49
▸ LTA4H P09960 7/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HRH1 P35367 4/20 0.45
▸ DRD1 P21728 2/20 0.45
▸ DRD4 P21917 2/20 0.45
▸ DRD5 P21918 2/20 0.45
▸ DRD3 P35462 2/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ LYPLA1 O75608 1/20 0.43
▸ LYPLA2 O95372 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ PSMB1 P20618 1/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ PSMB2 P49721 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
SCHEMBL12266420 0.88 KDM4E (0.55) HRH3LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL13383628 0.86 HRH3 (0.51) HRH3LTA4HKDM4ESMN1; SMN2HRH1
SCHEMBL12271044 0.81 CYP1A2 (0.55) LTA4HKDM4EALDH1A1SMN1; SMN2HRH1
SCHEMBL12266379 0.80 SMN1; SMN2 (0.50) HRH3KDM4ESMN1; SMN2HRH1DRD3
SCHEMBL13383619 0.78 HRH1 (0.45) HRH3LTA4HHRH1DRD1DRD4
SCHEMBL12270682 0.75 HPGD (0.73) LTA4HKDM4EALDH1A1SMN1; SMN2LYPLA1
SCHEMBL12271077 0.74 MEN1 (0.48) HRH3KDM4EALDH1A1SMN1; SMN2HRH1
SCHEMBL12270830 0.73 LYPLA1 (0.76) HRH3LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL12271034 0.73 LYPLA1 (0.48) KDM4EALDH1A1HRH1LYPLA1LYPLA2
SCHEMBL8122915 0.72 HRH3 (0.80) HRH3LTA4HKDM4EALDH1A1SMN1; 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 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 HRH3 2376/4885LTA4H 4297/4885KDM4E 1022/4885

“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.

Send feedback