SCHEMBL15464819

SCHEMBL15464819

Cc1cc(OCCC(=O)O)cc(C)c1Br

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.70
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.51
▸ LMNA P02545 3/20 0.50
▸ HPGD P15428 2/20 0.48
▸ MAPT P10636 2/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ NOD2 Q9HC29 1/20 0.44
▸ TSHR P16473 4/20 0.43
▸ PTPRB P23467 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL11504186 0.91 MCL1 (0.58) MCL1L3MBTL1ALDH1A1LMNAHPGD
SCHEMBL15464936 0.86 MCL1 (0.51) MCL1L3MBTL1ALDH1A1LMNAHPGD
SCHEMBL15464354 0.83 LMNA (0.51) MCL1ALDH1A1LMNAHPGDMAPT
SCHEMBL3191411 0.81 ALDH1A1 (0.63) MCL1ALDH1A1LMNAHPGDMAPT
SCHEMBL15464255 0.81 ALDH1A1 (0.50) MCL1L3MBTL1ALDH1A1LMNAHPGD
SCHEMBL16503434 0.81 MCL1 (0.68) MCL1L3MBTL1LMNAHPGDTSHR
SCHEMBL3731595 0.79 L3MBTL1 (0.67) MCL1L3MBTL1LMNAHPGDTSHR
SCHEMBL15261631 0.79 ALDH1A1 (0.52) MCL1ALDH1A1LMNAHPGDMAPT
SCHEMBL11504215 0.79 ALDH1A1 (0.49) MCL1L3MBTL1ALDH1A1LMNAHPGD
SCHEMBL3723832 0.79 L3MBTL1 (0.66) MCL1L3MBTL1HPGDTSHRMMP2

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-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
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-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 MCL1 4479/4885L3MBTL1 4256/4885ALDH1A1 3081/4885
US-20150191495-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 MCL1 4479/4885L3MBTL1 4256/4885ALDH1A1 3081/4885

“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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