SCHEMBL19690487

SCHEMBL19690487

CCc1cccc(CC)c1C1=CC(C(=O)O)(C(=O)O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.47
CYP2D6 P10635 1/20 0.42
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC4 P56524 1/20 0.35
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
ANPEP P15144 1/20 0.35
DPP4 P27487 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
APEX1 P27695 1/20 0.34
CLCN2 P51788 1/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33

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
SCHEMBL19690699 0.76 THRB (0.50) THRBTDP1HDAC4APEX1PKM
SCHEMBL18663406 0.68 THRB (0.41) PDK2THRBTDP1MAPT
Bicarbonate SCHEMBL17472966 0.66 PDCD1 (0.50) PDK2HDAC4DPP4GABRA1GABRB2
SCHEMBL1133085 0.65 PDK2 (0.49) PDK2CYP2D6ANPEPDPP4GABRA1
SCHEMBL6550873 0.64 ANPEP (0.49) PDK2ANPEPDPP4GABRA1GABRB2
SCHEMBL12460413 0.64 PDK2 (1.00) PDK2
SCHEMBL18663403 0.64 ALDH1A1 (0.41) PDK2THRBTDP1MAPT
SCHEMBL11550615 0.64 PDK2 (0.47) PDK2CYP2D6ANPEPDPP4GABRA1
SCHEMBL10783896 0.64 PDK2 (0.47) PDK2CYP2D6ANPEPDPP4GABRA1
SCHEMBL7006710 0.64 PDK2 (0.47) PDK2CYP2D6ANPEPDPP4GABRA1

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 3198/4885CYP2D6 1740/4885THRB 1623/4885
US-20170355792-A1 OLEFIN POLYMERIZATION CATALYST CARRIER, SOLID CATALYST COMPONENT AND USE THEREOF COG2, COG7, COG4 PDK2 3467/4885CYP2D6 1753/4885THRB 3320/4885

“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.