SCHEMBL1637302

SCHEMBL1637302

CC(C)(C)OC(=O)NC(CCCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.55
▸ MDM2 Q00987 1/20 0.49
▸ CASP3 P42574 3/20 0.48
▸ MDM4 O15151 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ TLR2 O60603 1/20 0.43

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
SCHEMBL1638243 0.89 MDM2 (0.45) KMT2AMDM2CASP3MDM4TP53
SCHEMBL22367804 0.88 KMT2A (0.55) KMT2AMDM2CASP3MDM4TP53
SCHEMBL4598995 0.87 CASP3 (0.57) KMT2AMDM2CASP3MDM4TP53
SCHEMBL29989986 0.83 KMT2A (0.52) KMT2AMDM2CASP3MDM4TP53
SCHEMBL29350883 0.83 KMT2A (0.52) KMT2AMDM2CASP3MDM4TP53
SCHEMBL30074491 0.83 KMT2A (0.52) KMT2AMDM2CASP3MDM4TP53
SCHEMBL1709129 0.83 KMT2A (0.52) KMT2AMDM2CASP3MDM4TP53
SCHEMBL29591196 0.83 KMT2A (0.52) KMT2AMDM2CASP3MDM4TP53
SCHEMBL29792137 0.83 KMT2A (0.52) KMT2AMDM2CASP3MDM4TP53
SCHEMBL5323666 0.83 KMT2A (0.52) KMT2AMDM2CASP3MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 — — EP disclosed
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 — — US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 — — US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 — — US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 — — EP 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 (2 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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 KMT2A 474/4885MDM2 3920/4885CASP3 4408/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 KMT2A 488/4885MDM2 4060/4885CASP3 4609/4885

“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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