SCHEMBL19690414

SCHEMBL19690414

CCc1ccc(C(C)=O)c(C2=C(c3ccccc3)C(C(=O)O)(C(=O)O)c3ccccc32)c1CC

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.34
▸ THRB P10828 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ ADORA3 P0DMS8 3/20 0.31
▸ HSD17B1 P14061 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
SCHEMBL18663361 0.78 ADORA3 (0.33) TDP1ADORA3
SCHEMBL19690388 0.72 ADORA3 (0.32) TDP1ADORA3
SCHEMBL19690646 0.72 CNR2 (0.36) ADORA3
SCHEMBL18663308 0.71 TDP1 (0.38) PDK2THRBTDP1HSP90AA1HSP90AB1
SCHEMBL18663408 0.69 THRB (0.41) PDK2THRBTDP1
SCHEMBL19690686 0.68 GSK3B (0.40) —
SCHEMBL19690698 0.67 GAA (0.38) PDK2THRBTDP1HSP90AA1HSP90AB1
SCHEMBL18663400 0.66 PDK2 (0.40) PDK2THRBTDP1
SCHEMBL18663359 0.65 ALDH1A1 (0.43) TDP1ADORA3
SCHEMBL18663329 0.64 CYP1A2 (0.38) PDK2THRBTDP1HSP90AA1HSP90AB1

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 2 patents. 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
US-20170355792-A1 OLEFIN POLYMERIZATION CATALYST CARRIER, SOLID CATALYST COMPONENT AND USE THEREOF RENQIU LIHE TECH LTD (CN) 2017-12-14 — — 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 (2 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 3198/4885THRB 1623/4885TDP1 4066/4885
US-20170355792-A1 OLEFIN POLYMERIZATION CATALYST CARRIER, SOLID CATALYST COMPONENT AND USE THEREOF COG2, COG7, COG4 PDK2 3467/4885THRB 3320/4885TDP1 3772/4885

“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.

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