SCHEMBL1985353

SCHEMBL1985353

COc1ccc(C(=O)O)c(CC(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
TP53 P04637 1/20 0.48
AKR1C3 P42330 8/20 0.48
AKR1C2 P52895 8/20 0.48
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL1988773 0.86 AKR1C3 (0.44) TP53AKR1C3AKR1C2HSD17B10SMN1; SMN2
SCHEMBL9579625 0.86 KDM4E (0.59) GAAHSD17B10KDM4EALDH1A1
SCHEMBL24175878 0.86 GAA (0.50) GAATP53HSD17B10ALDH1A1NPC1
SCHEMBL1988390 0.84 AKR1C3 (0.48) AKR1C3AKR1C2HSD17B10SMN1; SMN2KDM4E
SCHEMBL948186 0.84 KDM4E (0.48) TP53AKR1C3AKR1C2HSD17B10SMN1; SMN2
SCHEMBL1989679 0.84 FOLH1 (0.46) TP53AKR1C3AKR1C2HSD17B10SMN1; SMN2
SCHEMBL2317055 0.83 AKR1C3 (0.50) AKR1C3AKR1C2HSD17B10SMN1; SMN2KDM4E
SCHEMBL7453695 0.83 POLB (0.49) AKR1C3ALDH1A1NPC1RAB9APOLB
SCHEMBL687106 0.83 KDM4E (0.53) AKR1C3AKR1C2HSD17B10SMN1; SMN2KDM4E
SCHEMBL8478030 0.81 SMN1; SMN2 (0.56) AKR1C3AKR1C2HSD17B10SMN1; SMN2KDM4E

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
EP-2516479-B1 NEW INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS BASF CORP (US) 2016-04-20 EP claimed
EP-2516479-A2 NEW INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS BASF Corporation (US) 2012-10-31 EP claimed
US-8211819-B2 Internal and external donor compounds for olefin polymerization catalysts BASF CORPORATION (US) 2012-07-03 US claimed
WO-2011084691-A2 NEW INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS BASF CORPORATION (US) 2011-07-14 WO claimed
US-20110152481-A1 Internal and external donor compounds for olefin polymerization catalysts BASF CATALYSTS LLC (US) 2011-06-23 US claimed
CN-103975003-B Carbon fiber forming blank, moulding material and carbon fibre reinforced composite 东丽株式会社 2017-07-28 CN disclosed
EP-2516479-B1 NEW INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS BASF CORP (US) 2016-04-20 EP disclosed
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 US disclosed
EP-2516479-A2 NEW INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS BASF Corporation (US) 2012-10-31 EP disclosed
US-8211819-B2 Internal and external donor compounds for olefin polymerization catalysts BASF CORPORATION (US) 2012-07-03 US disclosed
WO-2011084691-A2 NEW INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS BASF CORPORATION (US) 2011-07-14 WO disclosed
US-20110152481-A1 Internal and external donor compounds for olefin polymerization catalysts BASF CATALYSTS LLC (US) 2011-06-23 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 (1 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-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 GAA 3298/4885TP53 4431/4885AKR1C3 518/4885

“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.