SCHEMBL19690451

SCHEMBL19690451

CCC1=C(Br)C(C(=O)O)(C(=O)O)c2cccc(CC)c21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
PDK2 Q15119 2/20 0.38
HDAC4 P56524 1/20 0.36
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
CYP2D6 P10635 1/20 0.33
CLCN2 P51788 1/20 0.31
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL19690648 0.79 PDK2 (0.40) GABRA1GABRB2PDK2HDAC4HTR7
SCHEMBL18663400 0.79 PDK2 (0.40) GABRA1GABRB2PDK2HDAC4HTR7
SCHEMBL19690654 0.77 PDK2 (0.41) GABRA1GABRB2PDK2HDAC4HTR7
SCHEMBL21046178 0.75 PDK2 (0.34) GABRA1GABRB2PDK2HTR7HTR2B
SCHEMBL19690603 0.74 KMT2A (0.34) PDK2HDAC4CYP2D6TSHR
SCHEMBL19690572 0.72 PDK2 (0.34) PDK2HTR7HTR2B
SCHEMBL19690487 0.63 PDK2 (0.47) GABRA1GABRB2PDK2HDAC4HTR7
SCHEMBL18983054 0.62 CLCN2 (0.56) GABRA1GABRB2CLCN2ALOX15TSHR
SCHEMBL19753235 0.60 HDAC4 (0.61) GABRA1GABRB2PDK2HDAC4CYP2D6
SCHEMBL1364609 0.59 GABRA1 (0.68) GABRA1GABRB2CYP2C19TDP1

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 GABRA1 3986/4885GABRB2 3753/4885PDK2 3198/4885
US-20170355792-A1 OLEFIN POLYMERIZATION CATALYST CARRIER, SOLID CATALYST COMPONENT AND USE THEREOF COG2, COG7, COG4 GABRA1 4432/4885GABRB2 4248/4885PDK2 3467/4885

“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.