SCHEMBL21046178

SCHEMBL21046178

CCOC(OCC)C1=C(CC)c2c(CC)cccc2C1(C(=O)O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.34
FFAR1 O14842 2/20 0.31
PPARG P37231 2/20 0.30
PPARA Q07869 2/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
PTGS2 P35354 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL19690451 0.75 GABRA1 (0.39) PDK2GABRA1GABRB2HTR7HTR2B
SCHEMBL19690654 0.74 PDK2 (0.41) PDK2GABRA1GABRB2HTR7HTR2B
SCHEMBL18663400 0.73 PDK2 (0.40) PDK2GABRA1GABRB2HTR7HTR2B
SCHEMBL19690648 0.73 PDK2 (0.40) PDK2GABRA1GABRB2HTR7HTR2B
SCHEMBL19690603 0.68 KMT2A (0.34) PDK2FFAR1
SCHEMBL18663335 0.61 PDK2 (0.40) PDK2PPARAGABRA1GABRB2HTR7
SCHEMBL27462033 0.59 KDM4E (0.41) BCHEACHEPTGS2
SCHEMBL18983054 0.57 CLCN2 (0.56) GABRA1GABRB2
SCHEMBL12283815 0.56 ALDH1A1 (0.53) PDK2GABRA1GABRB2
SCHEMBL9613867 0.56 TP53 (0.55) FFAR1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190169328-A1 OLEFIN POLYMERIZATION CATALYST CARRIER, SOLID CATALYST COMPONENT AND USE THEREOF RENQIU LIHE TECH LTD (CN) 2019-06-06 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-20190169328-A1 OLEFIN POLYMERIZATION CATALYST CARRIER, SOLID CATALYST COMPONENT AND USE THEREOF COG2, GTF2I, POF1B PDK2 3198/4885FFAR1 3146/4885PPARG 3323/4885

“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.