SCHEMBL960872

SCHEMBL960872

O=C(O)C(CCCCCl)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ACP3 P15309 1/20 0.38
TBXAS1 P24557 2/20 0.38
FABP4 P15090 2/20 0.37
FABP5 Q01469 2/20 0.37
CPN1 P15169 1/20 0.37
CPB2 Q96IY4 1/20 0.37
CTSA P10619 1/20 0.36
CXCL8 P10145 1/20 0.36
CASP1 P29466 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PTGFR P43088 3/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL1133620 0.84 CYSLTR2 (0.44) MEN1KMT2ACASP1ALDH1A1
SCHEMBL27508354 0.84 CYSLTR2 (0.44) MEN1KMT2ACASP1ALDH1A1
SCHEMBL10895395 0.84 MEN1 (0.46) MEN1KMT2AACP3CXCL8CASP1
SCHEMBL1172775 0.83 CYSLTR2 (0.43) MEN1KMT2ACASP1ALDH1A1
SCHEMBL963394 0.83 CNR2 (0.40) MEN1KMT2ATBXAS1
SCHEMBL30492778 0.83 CNR2 (0.40) MEN1KMT2ATBXAS1
SCHEMBL6123354 0.83 KMT2A (0.62) MEN1KMT2AFABP4FABP5CXCL8
SCHEMBL960173 0.81 TDP1 (0.40) CASP1ALDH1A1
SCHEMBL962850 0.81 TBXAS1 (0.52) TBXAS1CPN1CPB2
SCHEMBL20534707 0.80 MEN1 (0.48) MEN1KMT2AACP3CXCL8CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
CN-102356081-A Bicyclic compounds for the reduction of beta-amyloid production BRISTOL MYERS SQUIBB CO 2012-02-15 CN disclosed
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 WO 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-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 MEN1 3498/4885KMT2A 4488/4885ACP3 353/4885

“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.