SCHEMBL12270733

SCHEMBL12270733

CCCNCCOB(c1ccc(C)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ DRD2 P14416 6/20 0.36
▸ DRD4 P21917 6/20 0.36
▸ DRD3 P35462 6/20 0.36
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ SCN8A Q9UQD0 1/20 0.34
▸ ORAI1 Q96D31 1/20 0.33
▸ ORAI2 Q96SN7 1/20 0.33
▸ ORAI3 Q9BRQ5 1/20 0.33
▸ TRPV6 Q9H1D0 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL13476020 0.94 MEN1 (0.39) MEN1KMT2ASCN8AORAI1ORAI2
SCHEMBL12270665 0.79 CYP1A2 (0.50) MEN1KMT2ABCHEACHEORAI1
SCHEMBL12270408 0.76 LYPLA1 (0.49) BCHEACHEORAI1ORAI2ORAI3
SCHEMBL12271043 0.74 MAOB (0.47) MAPTHTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL3279116 0.74 TRPV6 (0.50) MEN1KMT2ADRD2ACHEORAI1
SCHEMBL12270959 0.70 KDM4E (0.56) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL12319389 0.70 CYP1A2 (0.58) MEN1KMT2AORAI1ORAI2ORAI3
SCHEMBL10406540 0.69 ALDH1A1 (0.38) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL2407885 0.69 LYPLA1 (0.54) ORAI1ORAI2ORAI3TRPV6MGLL
SCHEMBL11932740 0.69 DRD2 (0.46) DRD2DRD4DRD3ALDH1A1

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 2 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-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 MEN1 3255/4885KMT2A 1067/4885DRD2 3904/4885

“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.

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