SCHEMBL13232182

SCHEMBL13232182

CC(C)c1ccc(C(O)CC2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.49
EPHX2 P34913 2/20 0.49
IDO1 P14902 5/20 0.46
TDO2 P48775 5/20 0.46
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41

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
SCHEMBL18660426 0.86 NFE2L2 (0.44) IDO1TDO2CYP1A2CYP2D6HIF1A
SCHEMBL10021113 0.86 METAP2 (0.47) IDO1TDO2CYP1A2CYP2D6HIF1A
SCHEMBL10633563 0.86 SLC6A2 (0.54) IDO1TDO2NPSR1NPC1RAB9A
SCHEMBL13232174 0.83 EPHX1 (0.47) EPHX1EPHX2NPSR1SMN1; SMN2NPC1
SCHEMBL13275902 0.82 IDO1 (0.45) IDO1TDO2CYP1A2CYP2D6HIF1A
SCHEMBL1520497 0.81 CYP1A2 (0.57) IDO1TDO2CYP1A2CYP2D6HIF1A
SCHEMBL20289657 0.80 ADRB2 (0.41) IDO1TDO2CYP1A2CYP2D6HIF1A
SCHEMBL21799143 0.80 ADRB2 (0.41) IDO1TDO2CYP1A2CYP2D6HIF1A
SCHEMBL7496186 0.79 CYP1A2 (0.59) CYP1A2CYP2D6HIF1ALMNANFKB1
SCHEMBL1963900 0.79 CYP1A2 (0.41) IDO1TDO2CYP1A2CYP2D6HIF1A

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 14 patents. 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-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-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
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-2009132085-A1 SUBSTITUTED ARYLCYCLOPENTENES AS PROSTAGLANDIN EP2 AGONISTS ALLERGAN, INC. (US) 2009-10-29 WO 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 (5 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 EPHX1 1573/4885EPHX2 1098/4885IDO1 1339/4885
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 EPHX1 1573/4885EPHX2 1098/4885IDO1 1339/4885
US-20090270387-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, UGT2B7, GBA1 EPHX1 1328/4885EPHX2 856/4885IDO1 644/4885
US-20100168189-A1 THERAPEUTIC SUBSTITUTED LACTAMS PIGO, GARS1, CLPP EPHX1 2900/4885EPHX2 2975/4885IDO1 3196/4885
US-20100137347-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 EPHX1 1340/4885EPHX2 1100/4885IDO1 1049/4885

“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.