SCHEMBL961952

SCHEMBL961952

O=C(O)C(CCCCCl)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TBXAS1 P24557 2/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C19 P33261 1/20 0.39
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
CNR1 P21554 2/20 0.38
LDHA P00338 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX5 P09917 1/20 0.37
CNR2 P34972 2/20 0.36
GAA P10253 2/20 0.36
HTT P42858 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
SCHEMBL1966272 0.97 KMT2A (0.55) KMT2AL3MBTL1POLBTDP1TBXAS1
SCHEMBL961245 0.84 POLB (0.50) KMT2AL3MBTL1POLBTDP1TBXAS1
SCHEMBL962850 0.84 TBXAS1 (0.52) POLBTBXAS1LMNASMN1; SMN2CYP2C19
SCHEMBL12500531 0.83 LMNA (0.48) KMT2APOLBTBXAS1LMNA
SCHEMBL9859821 0.83 LMNA (0.48) KMT2APOLBTBXAS1LMNA
SCHEMBL28911003 0.83 KMT2A (0.48) KMT2AL3MBTL1POLBTDP1CYP2C19
SCHEMBL28911005 0.83 KMT2A (0.48) KMT2AL3MBTL1POLBTDP1CYP2C19
SCHEMBL27842577 0.83 POLB (0.53) L3MBTL1POLBTDP1TBXAS1ALDH1A1
SCHEMBL28445931 0.83 KMT2A (0.48) KMT2AL3MBTL1POLBTDP1CYP2C19
SCHEMBL962540 0.83 POLB (0.41) L3MBTL1POLBTDP1TBXAS1CPN1

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
CN-102356081-B Bicyclic compounds for the reduction of beta-amyloid production BRISTOL MYERS SQUIBB CO 2014-08-27 CN 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 KMT2A 4488/4885L3MBTL1 3375/4885POLB 1116/4885

“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.