SCHEMBL9880917

SCHEMBL9880917

Cc1ccc(CC(=O)OCc2ccccc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.79
ALDH1A1 P00352 3/20 0.79
MAPK1 P28482 1/20 0.79
KMT2A Q03164 2/20 0.65
LMNA P02545 1/20 0.58
PAM P19021 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
ENPP2 Q13822 1/20 0.52
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL29169367 1.00 L3MBTL1 (0.79) L3MBTL1ALDH1A1MAPK1KMT2ALMNA
Nitrogen SCHEMBL28521302 0.97 L3MBTL1 (0.74) L3MBTL1ALDH1A1MAPK1KMT2ALMNA
SCHEMBL13932524 0.93 ALDH1A1 (0.66) L3MBTL1ALDH1A1MAPK1KMT2ALMNA
SCHEMBL6784181 0.91 ALDH1A1 (0.96) L3MBTL1ALDH1A1MAPK1KMT2APAM
SCHEMBL361779 0.89 ALDH1A1 (1.00) L3MBTL1ALDH1A1MAPK1KMT2ALMNA
SCHEMBL8508557 0.87 ALDH1A1 (0.64) L3MBTL1ALDH1A1MAPK1KMT2ALMNA
SCHEMBL57331 0.86 ALDH1A1 (0.85) L3MBTL1ALDH1A1MAPK1KMT2ALMNA
SCHEMBL31245908 0.86 ALDH1A1 (0.85) L3MBTL1ALDH1A1MAPK1KMT2ALMNA
SCHEMBL27499661 0.85 ALDH1A1 (0.92) L3MBTL1ALDH1A1MAPK1KMT2ALMNA
SCHEMBL8117331 0.84 ALDH1A1 (0.82) L3MBTL1ALDH1A1MAPK1KMT2APAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180215749-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2018-08-02 US disclosed
US-9951059-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2018-04-24 US disclosed
US-20170275246-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. 2017-09-28 US disclosed
US-20170233381-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2017-08-17 US disclosed
US-9701626-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2017-07-11 US disclosed
US-20160272589-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2016-09-22 US disclosed
US-20160009639-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS INC (US) 2016-01-14 US disclosed
US-9169201-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2015-10-27 US disclosed
US-20150175549-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2015-06-25 US disclosed
US-8778953-B2 Inhibitors of P38 map kinase CHROMA THERAPEUTICS LTD. (GB) 2014-07-15 US disclosed
US-20140187617-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-20140135400-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. (US) 2014-05-15 US disclosed
US-8716310-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-20130158015-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2013-06-20 US disclosed
US-20120214769-A1 Novel Antagonists of the Glucagon Receptor METABASIS THERAPEUTICS, INC. (US) 2012-08-23 US disclosed
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. 2012-05-31 US disclosed
US-20110034520-A1 Inhibitors of P38 Map Kinase MACROPHAGE PHARMA LIMITED (GB) 2011-02-10 US 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 (12 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-20160009639-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 L3MBTL1 3991/4885ALDH1A1 4642/4885MAPK1 1035/4885
US-20140187617-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 L3MBTL1 4562/4885ALDH1A1 1686/4885MAPK1 221/4885
US-20170233381-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 L3MBTL1 4562/4885ALDH1A1 1686/4885MAPK1 221/4885
US-20130158015-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 L3MBTL1 4562/4885ALDH1A1 1686/4885MAPK1 221/4885
US-20140135400-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 L3MBTL1 3991/4885ALDH1A1 4642/4885MAPK1 1035/4885
US-20110034520-A1 Inhibitors of P38 Map Kinase MAPK3, MAPK1, MAPKAPK3 L3MBTL1 1628/4885ALDH1A1 1247/4885MAPK1 2/4885
US-20150175549-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 L3MBTL1 4562/4885ALDH1A1 1686/4885MAPK1 221/4885
US-20180215749-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 L3MBTL1 4562/4885ALDH1A1 1686/4885MAPK1 221/4885
US-20120214769-A1 Novel Antagonists of the Glucagon Receptor GLP1R, GCGR, GPR119 L3MBTL1 3991/4885ALDH1A1 4642/4885MAPK1 1035/4885
US-20170275246-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 L3MBTL1 3991/4885ALDH1A1 4642/4885MAPK1 1035/4885
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 L3MBTL1 4222/4885ALDH1A1 2864/4885MAPK1 462/4885
US-20160272589-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 L3MBTL1 4562/4885ALDH1A1 1686/4885MAPK1 221/4885

“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.