SCHEMBL21742872

SCHEMBL21742872

Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccc(-c3cccc4c3oc3ccccc34)cc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.49
GGPS1 O95749 1/20 0.38
PRKDC P78527 4/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
PDK2 Q15119 4/20 0.38
PGR P06401 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
ATM Q13315 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL21164748 0.91 ALOX5 (0.47) ALOX5GGPS1PRKDCPTGES2PDK2
SCHEMBL12996570 0.89 ALOX5 (0.59) ALOX5GGPS1PRKDCPTGES2PDK2
SCHEMBL17614164 0.89 ALOX5 (0.59) ALOX5GGPS1PRKDCPTGES2PDK2
SCHEMBL21742875 0.87 PDK2 (0.38) ALOX5PDK2ESR1ESR2ATM
SCHEMBL21742676 0.87 HPGD (0.38) ALOX5PDK2PGRESR1ESR2
SCHEMBL21742871 0.87 PDK2 (0.38) ALOX5PDK2ESR1ESR2ATM
SCHEMBL21742671 0.87 ALOX5 (0.50) ALOX5GGPS1PRKDCPTGES2PDK2
SCHEMBL21742869 0.87 HPGD (0.38) ALOX5PDK2PGRESR1ESR2
SCHEMBL21742672 0.87 ALOX5 (0.52) ALOX5GGPS1PRKDCPTGES2PDK2
SCHEMBL9917134 0.87 ALOX5 (0.52) ALOX5GGPS1PRKDCPTGES2PDK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-02-20 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-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES PNMT, DDT, TYR ALOX5 2532/4885GGPS1 2508/4885PRKDC 3014/4885

“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.