SCHEMBL17280981

SCHEMBL17280981

CC1(C)c2ccccc2-c2cc3c(cc21)[nH]c1ccc(-c2ccc4[nH]c5cc6c(cc5c4c2)-c2ccccc2C6(C)C)cc13

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.38
AHR P35869 1/20 0.37
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
KIF11 P52732 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
HPGD P15428 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA6 Q16445 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL781373 0.96 CDK4 (0.39) PGRAHRCDK4CCND1GABRA1
SCHEMBL14880906 0.95 PGR (0.38) PGRAHRKDM4EMAPTKIF11
SCHEMBL22106242 0.93 PDK2 (0.41) PGRAHRKDM4EMAPTKIF11
SCHEMBL802821 0.91 PGR (0.40) PGRAHRKDM4EMAPTKIF11
SCHEMBL14979109 0.90 CDK4 (0.39) PGRAHRCDK4CCND1GABRA1
SCHEMBL31680 0.88 AHR (0.52) PGRAHRKDM4EMAPTKIF11
SCHEMBL29506376 0.88 AHR (0.52) PGRAHRKDM4EMAPTKIF11
SCHEMBL13432985 0.87 AHR (0.43) PGRAHRKDM4EMAPTKIF11
SCHEMBL16442721 0.87 AHR (0.43) PGRAHRKDM4EMAPTKIF11
SCHEMBL21376967 0.87 KIF11 (0.45) PGRKDM4EMAPTKIF11MEN1

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-20150340627-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-20150340627-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-11-26 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-20150340627-A1 MATERIALS FOR ELECTRONIC DEVICES ESR1, EPX, SDHB PGR 611/4885AHR 2849/4885KDM4E 3138/4885

“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.