SCHEMBL20102231

SCHEMBL20102231

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)ccc3-4)cc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 12/20 0.37
CYP11B1 P15538 1/20 0.34
GPR84 Q9NQS5 2/20 0.34
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
MPI P34949 1/20 0.33
USP2 O75604 1/20 0.31
MAPK1 P28482 1/20 0.31
CTNNB1 P35222 1/20 0.31
ATM Q13315 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ACACA Q13085 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
SCHEMBL10034410 1.00 PDK2 (0.37) PDK2CYP11B1GPR84MEN1ALDH1A1
SCHEMBL10034404 1.00 PDK2 (0.37) PDK2CYP11B1GPR84MEN1ALDH1A1
SCHEMBL10034349 0.98 PDK2 (0.37) PDK2CYP11B1GPR84MEN1ALDH1A1
SCHEMBL17243505 0.98 PDK2 (0.34) PDK2CYP11B1GPR84MEN1ALDH1A1
SCHEMBL10034352 0.98 PDK2 (0.37) PDK2CYP11B1GPR84MEN1ALDH1A1
SCHEMBL17243529 0.98 PDK2 (0.34) PDK2CYP11B1GPR84MEN1ALDH1A1
SCHEMBL23448090 0.98 CYP11B1 (0.35) PDK2CYP11B1GPR84MEN1ALDH1A1
SCHEMBL20102238 0.98 PDK2 (0.34) PDK2CYP11B1GPR84ALDH1A1HPGD
SCHEMBL22107922 0.98 CYP11B1 (0.35) PDK2CYP11B1GPR84MEN1ALDH1A1
SCHEMBL22669934 0.98 CYP11B1 (0.35) PDK2CYP11B1GPR84MEN1ALDH1A1

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-20180123042-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-03 US disclosed
US-20180123042-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-03 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-20180123042-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME OR10J3, BMI1, ETV6 PDK2 2148/4885CYP11B1 1121/4885GPR84 3448/4885

“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.