SCHEMBL320945

SCHEMBL320945

CC(C)COc1cccc(CC(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.51
TRIM24 O15164 1/20 0.44
FAAH O00519 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40
HIF1A Q16665 1/20 0.40
KAT6A Q92794 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 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
SCHEMBL12281971 0.85 TP53 (0.52) TAAR1TSHRMAPK1
SCHEMBL322457 0.85 KDM4E (0.50) TAAR1TRIM24FAAHNR1H4MAPT
SCHEMBL23224080 0.85 TAAR1 (0.45) TAAR1LMNAMAOB
SCHEMBL2967940 0.84 TRIM24 (0.55) TRIM24NR1H4MAPTSIRT2TSHR
SCHEMBL8050864 0.84 TRIM24 (0.47) TAAR1TRIM24FAAHNR1H4MAPT
SCHEMBL20825574 0.84 MAOB (0.49) TAAR1TRIM24FAAHNR1H4MAPT
SCHEMBL31538932 0.84 MAOB (0.49) TAAR1TRIM24FAAHNR1H4MAPT
SCHEMBL6419825 0.84 FAAH (0.49) TAAR1TRIM24FAAHNR1H4MAPT
SCHEMBL272030 0.84 TRIM24 (0.43) TAAR1TRIM24FAAHNR1H4MAPT
SCHEMBL8050867 0.84 TSHR (0.49) TAAR1TRIM24FAAHNR1H4MAPT

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170304255-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2017-10-26 US disclosed
US-20170305894-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Astellas Engineered Small Molecules US, Incorporated 2017-10-26 US disclosed
US-20170305894-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Astellas Engineered Small Molecules US, Incorporated 2017-10-26 US disclosed
US-9796696-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2017-10-24 US disclosed
US-9796696-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2017-10-24 US disclosed
US-9765065-B2 Therapeutic substituted cyclopentanes ALLERGAN, INC. (US) 2017-09-19 US disclosed
US-9765065-B2 Therapeutic substituted cyclopentanes ALLERGAN, INC. (US) 2017-09-19 US disclosed
US-20170144999-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES ALLERGAN, INC. 2017-05-25 US disclosed
US-20170144999-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES ALLERGAN, INC. 2017-05-25 US disclosed
US-9591935-B2 Therapeutic substituted cyclopentanes ALLERGEN, INC. (US) 2017-03-14 US disclosed
US-7468360-B2 Therapeutic amides and related compounds ALLERGAN, INC. (US) 2008-12-23 US disclosed
WO-2008121506-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-09 WO disclosed
WO-2008100809-A1 GAMMA-LACTAMS FOR THE TREATMENT OF GLAUCOMA OR ELEVATED INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2008-08-21 WO disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO disclosed
US-20080119539-A1 THERAPEUTIC AMIDES ALLERGAN, INC. 2008-05-22 US disclosed
US-20080119539-A1 THERAPEUTIC AMIDES ALLERGAN, INC. 2008-05-22 US disclosed
US-20080058387-A1 5-(3-(3-(4-(1-hydroxyhexyl)phenyl)-4-oxo-thiazolidin-2-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agents; post-surgical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts ALLERGAN, INC. 2008-03-06 US disclosed
US-20080051374-A1 Therapeutic Amides and related Compounds ALLERGAN, INC. 2008-02-28 US disclosed
US-20080045576-A1 THERAPEUTIC N-ARYL OR N-HETEROARYL PYRAZOLIDINE AND PYRAZOLIDINONE DERIVATIVES ALLERGAN, INC. 2008-02-21 US disclosed
US-20080039505-A1 THERAPEUTIC LACTAMS ALLERGAN, INC. 2008-02-14 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 (8 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-20080051374-A1 Therapeutic Amides and related Compounds GOT2, ACER2, GOT1 TAAR1 3249/4885TRIM24 4721/4885FAAH 48/4885
US-20080119539-A1 THERAPEUTIC AMIDES GOT2, GOT1, ARG2 TAAR1 3010/4885TRIM24 4786/4885FAAH 81/4885
US-20080039505-A1 THERAPEUTIC LACTAMS CLPP, NOTUM, PEPD TAAR1 4882/4885TRIM24 4645/4885FAAH 2895/4885
US-20080045576-A1 THERAPEUTIC N-ARYL OR N-HETEROARYL PYRAZOLIDINE AND PYRAZOLIDINONE DERIVATIVES GOT2, GOT1, NME4 TAAR1 3246/4885TRIM24 3682/4885FAAH 3626/4885
US-20080058387-A1 5-(3-(3-(4-(1-hydroxyhexyl)phenyl)-4-oxo-thiazolidin-2-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agents; post-surgical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts PTGIS, PTGIR, PTGS1 TAAR1 1282/4885TRIM24 3947/4885FAAH 801/4885
US-20170304255-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF PPARG, PPARD, PPARA TAAR1 1663/4885TRIM24 1840/4885FAAH 1101/4885
US-20170144999-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES CYP11B2, CYP11B1, HMGCR TAAR1 416/4885TRIM24 4492/4885FAAH 360/4885
US-20170305894-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF PPARG, PPARA, PPARD TAAR1 1072/4885TRIM24 2484/4885FAAH 619/4885

“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.