SCHEMBL5589113

SCHEMBL5589113

CC(C)c1c(O)c(O)c(C(C)C)c(C(C)C)c1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.37
LDHB P07195 3/20 0.37
GABRA1 P14867 5/20 0.36
GABRB1 P18505 4/20 0.36
GABRB2 P47870 3/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 2/20 0.36
BLM P54132 2/20 0.36
HIF1A Q16665 2/20 0.36
FAAH O00519 1/20 0.36
TSHR P16473 1/20 0.36
GABRG2 P18507 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
GABRB3 P28472 1/20 0.36

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
SCHEMBL12096287 0.92 GABRA1 (0.36) LDHALDHBGABRA1GABRB1GABRB2
SCHEMBL19998507 0.92 LDHA (0.37) LDHALDHBGABRA1GABRB1GABRB2
SCHEMBL1760594 0.88 GABRA1 (0.38) LDHALDHBGABRA1GABRB1GABRB2
SCHEMBL19730500 0.85 LDHA (0.37) LDHALDHBGABRA1GABRB1GABRB2
SCHEMBL23943247 0.78 LDHA (0.35) LDHALDHBLMNACYP1A2CYP3A4
SCHEMBL11813554 0.78 BCL2 (0.32) LDHALDHBBCL2BCL2L1MCL1
SCHEMBL19972004 0.78
SCHEMBL2308676 0.78 ALDH1A1 (0.30) TSHRALDH1A1HSD17B10
SCHEMBL5589022 0.76 GABRA1 (0.40) LDHALDHBGABRA1GABRB1GABRB2
SCHEMBL5587657 0.76 LDHA (0.33) LDHALDHBGABRA1GABRB1GABRB2

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 486/4885GABRA1 3688/4885

“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.