SCHEMBL21451571

SCHEMBL21451571

Cc1ccc2c(c1C)COc1c-2ccc(C)c1I

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.51
ESR2 Q92731 2/20 0.51
KCNJ1 P48048 7/20 0.35
PGR P06401 4/20 0.33
KCNH2 Q12809 6/20 0.32
ACHE P22303 1/20 0.31
SSTR1 P30872 1/20 0.31
SLC6A4 P31645 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
SCHEMBL23849173 0.89 ESR1 (0.46) ESR1ESR2KCNJ1PGR
SCHEMBL22650585 0.86 ESR1 (0.51) ESR1ESR2KCNJ1PGR
SCHEMBL23289004 0.85 ESR1 (0.42) ESR1ESR2KCNJ1KCNH2
SCHEMBL803200 0.85 ESR1 (0.62) ESR1ESR2KCNJ1PGRKCNH2
SCHEMBL22644204 0.82 ESR1 (0.43) ESR1ESR2KCNJ1KCNH2
SCHEMBL14883956 0.75 PSMB5 (0.49) ESR1ESR2KCNJ1
SCHEMBL802785 0.72 ESR1 (0.51) ESR1ESR2KCNJ1PGR
SCHEMBL803047 0.71 ESR1 (0.50) ESR1ESR2KCNJ1PGRKCNH2
SCHEMBL15036782 0.71 KCNJ1 (0.64) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL22644205 0.69 PGR (0.40) ESR1ESR2KCNJ1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481916-B1 ELECTRONIC SWITCH MERCK PATENT GMBH (DE) 2021-11-03 EP disclosed
US-20210257569-A1 METHOD FOR PRODUCING AN ELECTRONIC COMPONENT WHICH INCLUDES A SELF-ASSEMBLED MONOLAYER MERCK PATENT GMBH (DE) 2021-08-19 US disclosed
US-11063227-B2 Electronic switching element MERCK PATENT GMBH (DE) 2021-07-13 US disclosed
WO-2020225398-A1 AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2020-11-12 WO disclosed
US-20190312216-A1 ELECTRONIC SWITCHING ELEMENT MERCK PATENT GMBH (DE) 2019-10-10 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 (3 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-20210257569-A1 METHOD FOR PRODUCING AN ELECTRONIC COMPONENT WHICH INCLUDES A SELF-ASSEMBLED MONOLAYER SPIN1, EFNA1, SPIN2B ESR1 315/4885ESR2 113/4885KCNJ1 2286/4885
US-11063227-B2 Electronic switching element DNMT3A, DNMT1, DNMT3B ESR1 25/4885ESR2 48/4885KCNJ1 4019/4885
US-20190312216-A1 ELECTRONIC SWITCHING ELEMENT DNMT3A, DNMT1, TET1 ESR1 25/4885ESR2 139/4885KCNJ1 3399/4885

“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.