SCHEMBL2407880

SCHEMBL2407880

Cc1ccc(B(OB(c2ccc(C)c(Cl)c2)c2ccc(C)c(Cl)c2)c2ccc(C)c(Cl)c2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.46
▸ RAPGEF4 Q8WZA2 1/20 0.37
▸ ORAI1 Q96D31 1/20 0.37
▸ ORAI2 Q96SN7 1/20 0.37
▸ ORAI3 Q9BRQ5 1/20 0.37
▸ TRPV6 Q9H1D0 1/20 0.37
▸ HPGD P15428 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ CD44 P16070 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HTR3E A5X5Y0 1/20 0.34
▸ HTR3B O95264 1/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ HTR3D Q70Z44 1/20 0.34
▸ HTR3C Q8WXA8 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KMO O15229 1/20 0.33

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
SCHEMBL4968436 0.87 CYP3A4 (0.43) CYP3A4RAPGEF4HPGDCD44MAPT
SCHEMBL1138689 0.82 CYP3A4 (0.46) CYP3A4RAPGEF4ORAI1ORAI2ORAI3
SCHEMBL13476066 0.78 HPGD (0.49) CYP3A4RAPGEF4HPGDCD44MAPT
SCHEMBL31468433 0.77 TTR (0.55) CYP3A4RAPGEF4MAPTHTR3EHTR3B
SCHEMBL15734830 0.77 CYP3A4 (0.46) CYP3A4RAPGEF4HPGDCYP2D6SLC6A2
SCHEMBL177454 0.77 TTR (0.55) CYP3A4RAPGEF4MAPTHTR3EHTR3B
SCHEMBL2408889 0.77 HPGD (0.51) CYP3A4HPGDMAPTHTR3EHTR3B
SCHEMBL1138468 0.76 CYP3A4 (0.45) CYP3A4RAPGEF4ORAI1ORAI2ORAI3
SCHEMBL12270761 0.75 LYPLA1 (0.48) CYP3A4MAPTALDH1A1DRD2DRD4
SCHEMBL14503449 0.75 CYP3A4 (0.38) CYP3A4HPGDSLC6A2SLC6A4SLC6A3

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 CYP3A4 3743/4885RAPGEF4 4486/4885ORAI1 4605/4885

“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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