SCHEMBL13640333

SCHEMBL13640333

COCOc1ccc(CP(C)(C)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2C19 P33261 1/20 0.36
PTPN1 P18031 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
APP P05067 3/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
FYN P06241 2/20 0.33
FFAR1 O14842 1/20 0.33
PTPRC P08575 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPRB P23467 1/20 0.33

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
SCHEMBL2641869 0.84 ENPP2 (0.45) SMN1; SMN2CYP2C19PTPN1ALDH1A1MAPT
SCHEMBL12082470 0.80 CCNT1 (0.40) MMP2MMP3MMP9MMP14ALDH1A1
SCHEMBL3589633 0.77 NQO1 (0.50) MMP2MMP3MMP9MMP14MAPT
SCHEMBL14341660 0.74 APP (0.47) SMN1; SMN2APPNPC1POLBRAB9A
SCHEMBL2127451 0.74 SMN1; SMN2 (0.47) SMN1; SMN2CYP2C19ALDH1A1MAPTNPC1
SCHEMBL7866228 0.73 FFAR1 (0.40) MMP2MMP3MMP9MMP14SMN1; SMN2
SCHEMBL7855924 0.72 APP (0.37) MMP2MMP3MMP9MMP14SMN1; SMN2
SCHEMBL6160052 0.72 FYN (0.47) MMP2MMP3MMP9MMP14SMN1; SMN2
SCHEMBL15143758 0.72 MAOB (0.58) MAOB
SCHEMBL28879120 0.72 APP (0.37) MMP2MMP3MMP9MMP14SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796668-B2 Natural product analogs including an anti-inflammatory cyanoenone pharmacore and methods of use REATA PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
US-20160145200-A1 NATURAL PRODUCT ANALOGS INCLUDING AN ANTI-INFLAMMATORY CYANOENONE PHARMACORE AND METHODS OF USE REATA PHARMACEUTICALS, INC. (US) 2016-05-26 US disclosed
US-9233998-B2 Natural product analogs including an anti-inflammatory cyanoenone pharmacore and methods of use REATA PHARMACEUTICALS, INC. (US) 2016-01-12 US disclosed
US-20120283450-A1 COMPOUNDS INCLUDING AN ANTI-INFLAMMATORY PHARMACORE AND METHODS OF USE REATA PHARMACEUTICALS, INC. 2012-11-08 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 (2 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-20160145200-A1 NATURAL PRODUCT ANALOGS INCLUDING AN ANTI-INFLAMMATORY CYANOENONE PHARMACORE AND METHODS OF USE PTGES, LTB4R, LTB4R2 MMP2 1379/4885MMP3 857/4885MMP9 852/4885
US-20120283450-A1 COMPOUNDS INCLUDING AN ANTI-INFLAMMATORY PHARMACORE AND METHODS OF USE PTGES, PTGS1, PTGES2 MMP2 740/4885MMP3 359/4885MMP9 398/4885

“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.