SCHEMBL15464255

SCHEMBL15464255

CC(=O)CCCOc1cc(C)c(Br)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 4/20 0.49
▸ HPGD P15428 3/20 0.47
▸ MCL1 Q07820 2/20 0.46
▸ TSHR P16473 4/20 0.46
▸ MAPT P10636 3/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ NOD2 Q9HC29 1/20 0.43
▸ THRA P10827 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ P2RY12 Q9H244 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SETD1B Q9UPS6 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PTPRB P23467 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL15464936 0.91 MCL1 (0.51) ALDH1A1LMNAHPGDMCL1TSHR
SCHEMBL11504186 0.86 MCL1 (0.58) ALDH1A1LMNAHPGDMCL1TSHR
SCHEMBL11504215 0.85 ALDH1A1 (0.49) ALDH1A1LMNAHPGDMCL1TSHR
SCHEMBL15616197 0.83 ALDH1A1 (0.43) ALDH1A1LMNAHPGDMCL1TSHR
SCHEMBL15464819 0.81 MCL1 (0.70) ALDH1A1LMNAHPGDMCL1TSHR
SCHEMBL15471447 0.80 ALDH1A1 (0.41) ALDH1A1LMNAHPGDMCL1TSHR
SCHEMBL13527391 0.79 HPGD (0.50) ALDH1A1HPGDTSHRMAPTPDE3B
SCHEMBL78064 0.78 ALDH1A1 (0.47) ALDH1A1LMNAHPGDMCL1TSHR
SCHEMBL15464354 0.78 LMNA (0.51) ALDH1A1LMNAHPGDMCL1TSHR
SCHEMBL15473939 0.78 ALDH1A1 (0.39) ALDH1A1LMNAHPGDMCL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2880028-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-09-30 — — EP disclosed
EP-2880028-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-09-30 — — EP disclosed
US-9527875-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2016-12-27 — — US disclosed
US-9527875-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2016-12-27 — — US disclosed
US-9527875-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2016-12-27 — — US disclosed
US-20150191495-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2015-07-09 — — US disclosed
US-20150191495-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2015-07-09 — — US disclosed
US-20150191495-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2015-07-09 — — US disclosed
EP-2880028-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2015-06-10 — — EP disclosed
US-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-13 — — US disclosed
US-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-13 — — US disclosed
US-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-13 — — US disclosed
WO-2014019186-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-06 — — WO disclosed
WO-2014022528-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-06 — — WO disclosed
WO-2014019186-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-06 — — 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-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 ALDH1A1 3081/4885LMNA 4285/4885HPGD 2841/4885
US-20150191495-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 ALDH1A1 3081/4885LMNA 4285/4885HPGD 2841/4885

“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