SCHEMBL13232175

SCHEMBL13232175

CC(C)c1ccc(C(O)CCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
SLC6A2 P23975 3/20 0.48
SLC6A3 Q01959 3/20 0.48
ADRA1A P35348 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KCNH2 Q12809 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
TSHR P16473 2/20 0.48
ADRB2 P07550 2/20 0.48
LMNA P02545 2/20 0.48
EPHX1 P07099 1/20 0.48
ADRB1 P08588 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48

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
SCHEMBL30849683 1.00 RAB9A (0.50) RAB9AALDH1A1L3MBTL1PPARGPPARA
SCHEMBL14839521 0.95 PPARG (0.54) RAB9AALDH1A1L3MBTL1PPARGPPARA
SCHEMBL12065148 0.91 RAB9A (0.54) RAB9AALDH1A1L3MBTL1SLC6A2SLC6A3
SCHEMBL14839523 0.90 ADRB2 (0.51) RAB9AALDH1A1L3MBTL1PPARGPPARA
SCHEMBL936318 0.90 PPARG (0.50) PPARGPPARASLC6A2SLC6A3ADRA1A
SCHEMBL499868 0.86 PPARG (0.54) L3MBTL1PPARGPPARASLC6A2SLC6A3
SCHEMBL477470 0.86 PPARG (0.54) L3MBTL1PPARGPPARASLC6A2SLC6A3
SCHEMBL5835025 0.86 PPARG (0.54) L3MBTL1PPARGPPARASLC6A2SLC6A3
SCHEMBL10021106 0.85 PPARG (0.48) RAB9AALDH1A1L3MBTL1PPARGPPARA
SCHEMBL3070798 0.85 PPARG (0.50) RAB9APPARGPPARASLC6A2SLC6A3

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
EP-2775996-B1 USE OF PROPANOL AND PROPENOL DERIVATIVES AS ANTIOXIDANTS MERCK PATENT GMBH (DE) 2018-02-28 EP 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-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. 2017-03-02 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-20150051295-A1 USE OF PROPANOL AND PROPENOL DERIVATIVES AS ANTIOXIDANTS MERCK PATENT GMBH (DE) 2015-02-19 US disclosed
US-20150051295-A1 USE OF PROPANOL AND PROPENOL DERIVATIVES AS ANTIOXIDANTS MERCK PATENT GMBH (DE) 2015-02-19 US disclosed
US-20140323510-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2014-10-30 US disclosed
US-8722726-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2014-05-13 US disclosed
WO-2013045098-A2 USE OF PROPANOL AND PROPENOL DERIVATIVES AS ANTIOXIDANTS MERCK PATENT GMBH (DE) 2013-04-04 WO disclosed
US-8362054-B2 Therapeutic substituted lactams ALLERGAN, INC. (US) 2013-01-29 US disclosed
US-20100168189-A1 THERAPEUTIC SUBSTITUTED LACTAMS ALLERGAN, INC. 2010-07-01 US disclosed
US-20100137347-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-06-03 US disclosed
US-7713968-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2010-05-11 US disclosed
US-20090270387-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-10-29 US disclosed
WO-2008091818-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-07-31 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 (6 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-20140323510-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 RAB9A 1738/4885ALDH1A1 332/4885L3MBTL1 3994/4885
US-20150051295-A1 USE OF PROPANOL AND PROPENOL DERIVATIVES AS ANTIOXIDANTS GPX4, EBP, CAT RAB9A 4513/4885ALDH1A1 134/4885L3MBTL1 3679/4885
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 RAB9A 1738/4885ALDH1A1 332/4885L3MBTL1 3994/4885
US-20090270387-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, UGT2B7, GBA1 RAB9A 1394/4885ALDH1A1 299/4885L3MBTL1 3055/4885
US-20100168189-A1 THERAPEUTIC SUBSTITUTED LACTAMS PIGO, GARS1, CLPP RAB9A 1758/4885ALDH1A1 2303/4885L3MBTL1 3603/4885
US-20100137347-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 RAB9A 1852/4885ALDH1A1 160/4885L3MBTL1 4172/4885

“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.