SCHEMBL5587330

SCHEMBL5587330

CCc1c(C)c(C2CCCCC2)c(C(=O)O)c(O)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.36
LDHB P07195 3/20 0.36
ADORA3 P0DMS8 2/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
DHODH Q02127 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
CXCR5 P32302 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31

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
SCHEMBL5589864 0.90 LDHA (0.46) LDHALDHBTSHRNPSR1ACMSD
SCHEMBL5586964 0.89 LDHA (0.34) LDHALDHBADORA3TSHRNPSR1
SCHEMBL5590693 0.89 LDHA (0.39) LDHALDHBCNR1CNR2
SCHEMBL5587266 0.85 LDHA (0.38) LDHALDHBCNR1CNR2
SCHEMBL5590702 0.84 LDHA (0.43) LDHALDHBACMSDCNR1CNR2
SCHEMBL5589149 0.84 LDHA (0.39) LDHALDHBACMSDDHODHALDH1A1
SCHEMBL5587695 0.81 LDHA (0.40) LDHALDHBTSHRNPSR1CNR1
SCHEMBL1134719 0.81 LDHA (0.35) LDHALDHBACMSDDHODHALDH1A1
SCHEMBL5588974 0.81 LDHA (0.44) LDHALDHBTSHRNPSR1ACMSD
SCHEMBL5588260 0.79 LDHA (0.44) LDHALDHBCNR1CNR2JAK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US disclosed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP disclosed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US disclosed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 LDHA 320/4885LDHB 486/4885ADORA3 3462/4885

“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.