SCHEMBL17546156

SCHEMBL17546156

Cc1ccc(-c2cc(C#N)cc(C#N)c2F)cc1-c1cc(-c2cc(-c3cc(C#N)cc(C#N)c3F)ccc2C)cc(-c2cc(-c3cc(C#N)cc(C#N)c3F)ccc2C)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.40
▸ PGR P06401 2/20 0.36
▸ CYP11B2 P19099 5/20 0.36
▸ CYP11B1 P15538 4/20 0.36
▸ ABL1 P00519 2/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ MAPK14 Q16539 2/20 0.33
▸ STS P08842 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ EGLN2 Q96KS0 1/20 0.32

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
SCHEMBL16122301 0.89 NSD2 (0.36) ARPGRCYP11B2CYP11B1ABL1
SCHEMBL16122715 0.81 GRM5 (0.39) ARCYP11B2CYP11B1GRM5
SCHEMBL16122302 0.78 MAP4K4 (0.38) ARPGRCYP11B2CYP11B1GRM5
SCHEMBL19532032 0.77 AR (0.35) ARPGRCYP11B2CYP11B1
SCHEMBL16122530 0.76 CYP11B1 (0.46) CYP11B2CYP11B1GRM5
SCHEMBL17545813 0.75 TRPV4 (0.35) CYP11B2CYP11B1STSGRM5
SCHEMBL16122334 0.75 KIF11 (0.53) ARCYP11B2CYP11B1STS
SCHEMBL16122710 0.75 CYP11B2 (0.41) ARPGRCYP11B2CYP11B1ESR1
SCHEMBL16122528 0.75 CYP11B1 (0.44) CYP11B2CYP11B1GRM5
SCHEMBL16122531 0.74 METAP2 (0.45) ARCYP11B2CYP11B1

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 AR 4588/4885PGR 4217/4885CYP11B2 1484/4885
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices TBCB, CYBA, BMP2 AR 4588/4885PGR 4217/4885CYP11B2 1484/4885
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 AR 4588/4885PGR 4217/4885CYP11B2 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.

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