SCHEMBL17545798

SCHEMBL17545798

N#Cc1cc(-c2ccc(-c3cc(C#N)c(F)c(C#N)c3)c3ccccc23)cc(C#N)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 3/20 0.44
▸ ESR1 P03372 2/20 0.44
▸ MCL1 Q07820 2/20 0.43
▸ CYP11B1 P15538 3/20 0.42
▸ CYP11B2 P19099 3/20 0.42
▸ USP8 P40818 1/20 0.40
▸ USP7 Q93009 1/20 0.40
▸ ALOX5AP P20292 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ AR P10275 2/20 0.38
▸ IMPDH2 P12268 1/20 0.37
▸ IMPDH1 P20839 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GALR3 O60755 1/20 0.37

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
SCHEMBL17545769 0.88 MCL1 (0.58) ESR2ESR1MCL1CYP11B1CYP11B2
SCHEMBL16122336 0.86 USP8 (0.46) ESR2ESR1MCL1CYP11B1CYP11B2
SCHEMBL17545799 0.84 ESR1 (0.41) ESR2ESR1MCL1CYP11B1CYP11B2
SCHEMBL16122474 0.84 CYP11B1 (0.43) ESR2ESR1MCL1CYP11B1CYP11B2
SCHEMBL16122651 0.82 ESR2 (0.43) ESR2MCL1CYP11B1CYP11B2AR
SCHEMBL17546146 0.82 ESR1 (0.42) ESR2ESR1MCL1CYP11B1CYP11B2
SCHEMBL16122692 0.81 MCL1 (0.52) ESR2ESR1MCL1CYP11B1CYP11B2
SCHEMBL16122298 0.80 ESR1 (0.43) ESR2ESR1MCL1CYP11B1CYP11B2
SCHEMBL16122082 0.79 ALDH1A1 (0.40) ESR2ESR1MCL1CYP11B1CYP11B2
SCHEMBL16122080 0.79 ESR1 (0.41) ESR2ESR1MCL1CYP11B1CYP11B2

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
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2019-09-10 — — US disclosed
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES UDC IRELAND LIMITED (IE) 2017-11-02 — — US disclosed
US-9718764-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2017-08-01 — — US disclosed
US-20160046563-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES UDC IRELAND LIMITED (IE) 2016-02-18 — — 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-20160046563-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 ESR2 2650/4885ESR1 2086/4885MCL1 2673/4885
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices TBCB, CYBA, BMP2 ESR2 2650/4885ESR1 2086/4885MCL1 2673/4885
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 ESR2 2650/4885ESR1 2086/4885MCL1 2673/4885

“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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