SCHEMBL13995086

SCHEMBL13995086

C[Si](C)(C)c1ccc2c(-c3cc(C=C(c4ccccc4)c4ccccc4)cc4ccccc34)c3cc([Si](C)(C)C)ccc3c(-c3cc(C=C(c4ccccc4)c4ccccc4)cc4ccccc34)c2c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ PTGS2 P35354 1/20 0.32
▸ SOS1 Q07889 1/20 0.32
▸ ESR1 P03372 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
SCHEMBL13995076 0.74 ALDH1A1 (0.37) SOS1
SCHEMBL4084177 0.73 DHFR (0.43) SOS1ESR1
SCHEMBL4079264 0.73 DHFR (0.43) SOS1ESR1
SCHEMBL16352622 0.73 CYP11B1 (0.41) SOS1ESR1
SCHEMBL13995094 0.72 DHFR (0.42) SOS1ESR1
SCHEMBL13995091 0.72 DHFR (0.42) SOS1ESR1
SCHEMBL13995089 0.71 HSD17B1 (0.37) ESR1
SCHEMBL16352619 0.70 ALDH1A1 (0.42) SOS1ESR1
SCHEMBL16352625 0.70 ALDH1A1 (0.42) SOS1ESR1
SCHEMBL12023379 0.70 ALDH1A1 (0.42) SOS1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957604-B1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-09-23 — — EP disclosed
US-8795847-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-08-05 — — US disclosed
US-8795847-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-08-05 — — US disclosed
US-20080303003-A1 Novel Materials for Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-12-11 — — 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-20080303003-A1 Novel Materials for Organic Electroluminescent Devices ANXA2, ANXA3, ANXA1 CYP19A1 3068/4885CYP11B2 2649/4885PTGS2 2587/4885

“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.

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