SCHEMBL13232168

SCHEMBL13232168

CCCCC(O)C(C)(C)c1ccc(C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EPHX1 P07099 1/20 0.36
PTPN5 P54829 1/20 0.34
ACE P12821 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CNR2 P34972 1/20 0.32
GRIA4 P48058 1/20 0.32
KIF11 P52732 1/20 0.32
ADRB2 P07550 4/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL13232167 0.95 EPHX1 (0.38) CYP2D6CYP2C9HIF1ANPC1HPGD
SCHEMBL10021100 0.83 TSHR (0.39) NPC1RAB9AL3MBTL1ESR1ESR2
SCHEMBL18660420 0.81 ALDH1A1 (0.40) HIF1ASMN1; SMN2MEN1KMT2AESR2
SCHEMBL317837 0.79 ESR1 (0.31) ESR1ESR2
SCHEMBL10021105 0.78 L3MBTL1 (0.38) NPC1RAB9AL3MBTL1ESR1ESR2
SCHEMBL6055426 0.76 KDM4E (0.44) NPC1HPGDRAB9ASMN1; SMN2L3MBTL1
SCHEMBL18660141 0.76 CSNK1E (0.44) CNR2ALDH1A1
SCHEMBL317660 0.75 GPR84 (0.35) CYP2D6POLBKDM4EALDH1A1
SCHEMBL13693153 0.74 KIF11 (0.35) SMN1; SMN2MEN1KMT2AKIF11
SCHEMBL6055419 0.72 LMNA (0.46) CYP2D6HIF1ANPC1RAB9ASMN1; SMN2

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 CYP2D6 18/4885CYP2C9 260/4885HIF1A 1883/4885
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 CYP2D6 18/4885CYP2C9 260/4885HIF1A 1883/4885
US-20090270387-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, UGT2B7, GBA1 CYP2D6 15/4885CYP2C9 139/4885HIF1A 2335/4885
US-20100168189-A1 THERAPEUTIC SUBSTITUTED LACTAMS PIGO, GARS1, CLPP CYP2D6 632/4885CYP2C9 696/4885HIF1A 3185/4885
US-20100137347-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 CYP2D6 12/4885CYP2C9 233/4885HIF1A 1423/4885

“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.