SCHEMBL9906040

SCHEMBL9906040

CC(C)C/C=C/c1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MAPT P10636 6/20 0.43
POLB P06746 5/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
GAA P10253 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
ALOX5 P09917 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
RECQL P46063 1/20 0.41
MASP2 O00187 1/20 0.40
F2 P00734 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL13718680 1.00 ALDH1A1 (0.43) ALDH1A1MAPTPOLBKDM4EMEN1
SCHEMBL12337308 0.84 ALDH1A1 (0.41) ALDH1A1MAPTPOLBKDM4EMEN1
SCHEMBL13667610 0.84 ALDH1A1 (0.41) ALDH1A1MAPTPOLBKDM4EMEN1
SCHEMBL7766323 0.80 ALDH1A1 (0.45) ALDH1A1MAPTPOLBKDM4EMEN1
SCHEMBL30298025 0.79 ALDH1A1 (0.52) ALDH1A1MAPTPOLBKDM4EMEN1
SCHEMBL5725283 0.78
SCHEMBL256707 0.78
SCHEMBL10745935 0.78
SCHEMBL14416288 0.78
SCHEMBL5725286 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9591935-B2 Therapeutic substituted cyclopentanes ALLERGEN, INC. (US) 2017-03-14 US disclosed
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. 2017-03-02 US disclosed
US-9365485-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2016-06-14 US disclosed
US-20150274658-A1 THERAPEUTIC LACTAMS ALLERGAN, INC. (US) 2015-10-01 US 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-20080058397-A1 5-(3-(3-(4-hexanoylphenyl)-2,5-dioxoimidazolidin-4-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agent; post-sergical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts OLD DAVID W 2008-03-06 US disclosed
US-20080058397-A1 5-(3-(3-(4-hexanoylphenyl)-2,5-dioxoimidazolidin-4-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agent; post-sergical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts OLD DAVID W 2008-03-06 US disclosed
US-20080051374-A1 Therapeutic Amides and related Compounds ALLERGAN, INC. 2008-02-28 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
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 (9 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 ALDH1A1 1033/4885MAPT 1621/4885POLB 3033/4885
US-20150274658-A1 THERAPEUTIC LACTAMS CLPP, NOTUM, PEPD ALDH1A1 2097/4885MAPT 2528/4885POLB 2449/4885
US-20080119539-A1 THERAPEUTIC AMIDES GOT2, GOT1, ARG2 ALDH1A1 357/4885MAPT 2061/4885POLB 2823/4885
US-20080039505-A1 THERAPEUTIC LACTAMS CLPP, NOTUM, PEPD ALDH1A1 2097/4885MAPT 2528/4885POLB 2449/4885
US-20080045576-A1 THERAPEUTIC N-ARYL OR N-HETEROARYL PYRAZOLIDINE AND PYRAZOLIDINONE DERIVATIVES GOT2, GOT1, NME4 ALDH1A1 1555/4885MAPT 2226/4885POLB 2802/4885
US-20080058397-A1 5-(3-(3-(4-hexanoylphenyl)-2,5-dioxoimidazolidin-4-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agent; post-sergical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts PTGIS, PTGIR, PTGS1 ALDH1A1 2207/4885MAPT 1583/4885POLB 4012/4885
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 ALDH1A1 1517/4885MAPT 1570/4885POLB 2941/4885
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 ALDH1A1 332/4885MAPT 3495/4885POLB 2330/4885
US-20170144999-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES CYP11B2, CYP11B1, HMGCR ALDH1A1 503/4885MAPT 3621/4885POLB 4384/4885

“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.