SCHEMBL15627371

SCHEMBL15627371

CCN(CC)c1ccc2c(-c3ccccc3C(=O)OCC(=O)Oc3ccccc3)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.52
▸ BLM P54132 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ USP2 O75604 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ PPARG P37231 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ NCOR2 Q9Y618 1/20 0.52
▸ FPR2 P25090 4/20 0.49
▸ TGM2 P21980 1/20 0.48
▸ CHRM1 P11229 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.42
▸ AVPR2 P30518 4/20 0.41
▸ ABCB1 P08183 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CFTR P13569 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ ATM Q13315 1/20 0.39

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
SCHEMBL19000685 0.91 USP2 (0.54) MEN1BLMKMT2AUSP2POLB
SCHEMBL10298327 0.89 USP2 (0.58) MEN1BLMKMT2AUSP2POLB
Hydrochloric Acid SCHEMBL23064866 0.88 USP2 (0.57) MEN1BLMKMT2AUSP2POLB
SCHEMBL10124264 0.87 USP2 (0.56) MEN1BLMKMT2AUSP2POLB
SCHEMBL13033323 0.87 USP2 (0.58) MEN1BLMKMT2AUSP2POLB
SCHEMBL9007850 0.86 USP2 (0.59) MEN1BLMKMT2AUSP2POLB
SCHEMBL22292200 0.86 USP2 (0.55) MEN1BLMKMT2AUSP2POLB
Perchlorate SCHEMBL9638625 0.86 USP2 (0.57) MEN1BLMKMT2AUSP2POLB
SCHEMBL18350817 0.86 USP2 (0.55) MEN1BLMKMT2AUSP2POLB
SCHEMBL14393084 0.85 USP2 (0.58) MEN1BLMKMT2AUSP2POLB

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-9173946-B2 Bifunctional hydroxy-bisphosphonic acid derivatives ATLANTHERA (FR) 2015-11-03 — — US disclosed
US-20140086843-A1 BIFUNCTIONAL HYDROXY-BISPHOSPHONIC ACID DERIVATIVES ATLANTHERA (FR) 2014-03-27 — — 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-20140086843-A1 BIFUNCTIONAL HYDROXY-BISPHOSPHONIC ACID DERIVATIVES BPGM, PHPT1, PTH1R MEN1 745/4885BLM 4265/4885KMT2A 4053/4885

“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