SCHEMBL17545767

SCHEMBL17545767

N#Cc1cc(-c2ccc(-c3cc(C#N)c(F)c(C#N)c3)cc2)cc(C#N)c1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.45
ESR2 Q92731 7/20 0.45
CYP11B2 P19099 6/20 0.42
CYP11B1 P15538 5/20 0.42
AR P10275 2/20 0.40
MCL1 Q07820 2/20 0.40
TRPV4 Q9HBA0 1/20 0.40
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
KIF11 P52732 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
SCHEMBL16122340 0.92 TRPV4 (0.41) ESR1ESR2CYP11B2CYP11B1TRPV4
SCHEMBL17545780 0.90 ESR1 (0.40) ESR1ESR2CYP11B2CYP11B1TRPV4
SCHEMBL16098270 0.89 ALDH1A1 (0.50) CYP11B2CYP11B1MCL1ALDH1A1CYP1A2
SCHEMBL16122648 0.87 CYP11B1 (0.51) CYP11B2CYP11B1MCL1ALDH1A1CYP1A2
SCHEMBL16122294 0.87 CYP11B1 (0.51) CYP11B2CYP11B1MCL1ALDH1A1CYP1A2
SCHEMBL16122695 0.86 ESR1 (0.38) ESR1ESR2CYP11B2CYP11B1AR
SCHEMBL16122015 0.85 PIK3CD (0.53) CYP11B2CYP11B1CYP3A4CYP2C9HPGD
SCHEMBL16122698 0.84 ALDH1A1 (0.39) ESR1ESR2CYP11B2CYP11B1AR
SCHEMBL16122293 0.84 CYP11B1 (0.45) ESR1ESR2CYP11B2CYP11B1AR
SCHEMBL16122472 0.83 CYP11B1 (0.53) ESR1ESR2CYP11B2CYP11B1AR

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-2976322-B1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2019-11-20 EP disclosed
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 ESR1 2086/4885ESR2 2650/4885CYP11B2 1484/4885
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices TBCB, CYBA, BMP2 ESR1 2086/4885ESR2 2650/4885CYP11B2 1484/4885
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 ESR1 2086/4885ESR2 2650/4885CYP11B2 1484/4885

“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.