SCHEMBL5680835

SCHEMBL5680835

CCc1c(C)cc(O)c(O)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
MAPT P10636 3/20 0.46
LDHA P00338 4/20 0.45
LDHB P07195 4/20 0.45
ACHE P22303 1/20 0.44
HSD17B10 Q99714 2/20 0.40
PTPN1 P18031 2/20 0.40
APP P05067 1/20 0.40
BACE1 P56817 1/20 0.40
PTPN11 Q06124 1/20 0.39
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 2/20 0.38
BCL2 P10415 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL5587870 0.86 LDHA (0.58) CYP3A4MAPTLDHALDHBACHE
SCHEMBL5678439 0.84 LDHA (0.49) CYP3A4MAPTLDHALDHBACHE
SCHEMBL4126384 0.83 CYP3A4 (0.56) CYP3A4MAPTLDHALDHBACHE
SCHEMBL5589785 0.83 PTPN1 (0.43) CYP3A4MAPTLDHALDHBACHE
SCHEMBL5678446 0.83 KAT8 (0.48) LDHALDHBPTPN1MCL1BCL2L1
SCHEMBL10782332 0.81 HSD17B10 (0.40) CYP3A4MAPTLDHALDHBACHE
SCHEMBL14760848 0.78 MAPT (0.53) CYP3A4MAPTLDHALDHBACHE
SCHEMBL5676847 0.77 PTPN1 (0.54) LDHALDHBHSD17B10PTPN1PTPN11
SCHEMBL5588929 0.76 CYP3A4 (0.52) CYP3A4MAPTLDHALDHBACHE
SCHEMBL5680659 0.76 PTPN1 (0.45) LDHALDHBPTPN1PTPN11MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III ZHAO BAIYI 2006-02-16 US disclosed
EP-1620447-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III Exxonmobil Chemical Patents Inc. (US) 2006-02-01 EP disclosed
WO-2003102006-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-12-11 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-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III COMT, CD69, SPR CYP3A4 1091/4885MAPT 1188/4885LDHA 3482/4885

“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.