SCHEMBL964509

SCHEMBL964509

O=C(O)CCCC1(c2ccccc2)OCCO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
ADRA1A P35348 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
FFAR4 Q5NUL3 6/20 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
SCHEMBL4610893 0.89 TSHR (0.42) MAPK1SMN1; SMN2TSHRL3MBTL1ADRA1A
SCHEMBL964686 0.87 TSHR (0.41) MAPK1SMN1; SMN2TSHRL3MBTL1FFAR4
SCHEMBL2747320 0.86 HSD11B1 (0.46) FFAR4
SCHEMBL13067453 0.86 L3MBTL1 (0.44) SMN1; SMN2TSHRL3MBTL1FFAR4ALDH1A1
SCHEMBL16724554 0.86 L3MBTL1 (0.51) MAPK1SMN1; SMN2TSHRL3MBTL1HDAC3
SCHEMBL4611767 0.83 LMNA (0.42) MAPK1SMN1; SMN2TSHRL3MBTL1MAPT
SCHEMBL6158800 0.81 TSHR (0.43) MAPK1SMN1; SMN2TSHRL3MBTL1OPRM1
SCHEMBL4612086 0.80 MAPT (0.39) MAPK1SMN1; SMN2TSHRL3MBTL1MAPT
SCHEMBL16724555 0.80 TSHR (0.40) MAPK1SMN1; SMN2TSHRL3MBTL1
SCHEMBL4613715 0.79 TSHR (0.42) MAPK1SMN1; SMN2TSHRL3MBTL1OPRM1

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 13 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
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
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 WO disclosed
EP-1294671-B1 UTILISATION OF KETONES AS PRECURSORS OF ACTIVE COMPOUNDS FIRMENICH & CIE (CH) 2008-10-15 EP disclosed
US-6949680-B2 Ketones as precursors of active compounds FIRMENICH SA (CH) 2005-09-27 US disclosed
US-20030129212-A1 Ketones as precursors of active compounds FIRMENICH SA (CH) 2003-07-10 US disclosed
EP-1294671-A2 UTILISATION OF KETONES AS PRECURSORS OF ACTIVE COMPOUNDS FIRMENICH SA (CH) 2003-03-26 EP disclosed
WO-2001096272-A2 UTILISATION OF KETONES AS PRECURSORS OF ACTIVE COMPOUNDS FIRMENICH SA (CH) 2001-12-20 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 (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-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 MAPK1 3062/4885SMN1; SMN2 871/4885TSHR 4632/4885
US-20030129212-A1 Ketones as precursors of active compounds PKN3, PKM, FPR3 MAPK1 1427/4885SMN1; SMN2 4291/4885TSHR 3416/4885

“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.