SCHEMBL13232172

SCHEMBL13232172

CC(C)c1ccc(C(O)CCCC(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.58
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADRB1 P08588 1/20 0.35
TYR P14679 2/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35
IDO1 P14902 1/20 0.34
AOC3 Q16853 1/20 0.34
USP5 P45974 1/20 0.34

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
SCHEMBL10021098 0.84 RIPK1 (0.58) RIPK1CYP2C9HIF1AKDM4ESMN1; SMN2
SCHEMBL12928765 0.82 RIPK1 (0.85) RIPK1KDM4EAOC3
SCHEMBL9081551 0.79 SMN1; SMN2 (0.39) RIPK1CYP2C9HIF1AKDM4ENPC1
SCHEMBL6055426 0.79 KDM4E (0.44) RIPK1KDM4ENPC1POLBRAB9A
SCHEMBL23900841 0.78 RIPK1 (0.67) RIPK1HIF1AMEN1KMT2ASMN1; SMN2
SCHEMBL317277 0.78 RIPK1 (0.56) RIPK1
SCHEMBL22390594 0.78 RIPK1 (0.67) RIPK1HIF1AMEN1KMT2ASMN1; SMN2
SCHEMBL22389480 0.78 RIPK1 (0.67) RIPK1HIF1AMEN1KMT2ASMN1; SMN2
SCHEMBL13232166 0.78 S1PR2 (0.46) KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6055300 0.77 LMNA (0.41) RIPK1KDM4ENPC1POLBRAB9A

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 12 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

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 RIPK1 4834/4885CYP2D6 18/4885CYP2C9 260/4885
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 RIPK1 4834/4885CYP2D6 18/4885CYP2C9 260/4885
US-20090270387-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, UGT2B7, GBA1 RIPK1 4860/4885CYP2D6 15/4885CYP2C9 139/4885
US-20100168189-A1 THERAPEUTIC SUBSTITUTED LACTAMS PIGO, GARS1, CLPP RIPK1 3889/4885CYP2D6 632/4885CYP2C9 696/4885
US-20100137347-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 RIPK1 4840/4885CYP2D6 12/4885CYP2C9 233/4885

“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.