SCHEMBL13232170

SCHEMBL13232170

CCCC1(C(O)c2cccc(C(C)C)c2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 8/20 0.46
PTGER3 P43115 5/20 0.46
KDM4E B2RXH2 2/20 0.35
MDM4 O15151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
TYR P14679 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CA5A P35218 1/20 0.35
HTT P42858 1/20 0.35
HDAC4 P56524 1/20 0.35
MDM2 Q00987 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL10021104 0.85 PTGER2 (0.46) PTGER2PTGER3CYP3A4
SCHEMBL13232169 0.84 PTGER2 (0.41) PTGER2PTGER3ALDH1A1HPGDSMN1; SMN2
SCHEMBL3402623 0.83 PTGER2 (0.45) PTGER2PTGER3
SCHEMBL318512 0.75 PTGER2 (0.41) PTGER2PTGER3
SCHEMBL10021107 0.75 PTGER2 (0.41) PTGER2PTGER3CYP3A4
SCHEMBL13695432 0.74 PTGER2 (0.43) PTGER2PTGER3ALDH1A1
SCHEMBL13313985 0.74 PTGER2 (0.40) PTGER2PTGER3ALDH1A1TP53CYP3A4
SCHEMBL317580 0.74 PTGER2 (0.38) PTGER2PTGER3
SCHEMBL14368236 0.74 OPRL1 (0.48) PTGER2PTGER3
SCHEMBL18801222 0.73 PTGER2 (0.55) PTGER2PTGER3HDAC4HDAC2HDAC8

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 13 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-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

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 PTGER2 1343/4885PTGER3 2592/4885KDM4E 2381/4885
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 PTGER2 1343/4885PTGER3 2592/4885KDM4E 2381/4885
US-20090270387-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, UGT2B7, GBA1 PTGER2 2160/4885PTGER3 2484/4885KDM4E 1646/4885
US-20100168189-A1 THERAPEUTIC SUBSTITUTED LACTAMS PIGO, GARS1, CLPP PTGER2 2594/4885PTGER3 2284/4885KDM4E 2991/4885
US-20100137347-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 PTGER2 995/4885PTGER3 2164/4885KDM4E 2953/4885

“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.