SCHEMBL802176

SCHEMBL802176

CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cnccn4)c3cc21

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 3/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ MAT2A P31153 2/20 0.36
▸ DUSP3 P51452 1/20 0.31
▸ CYP11B2 P19099 1/20 0.30
▸ CALCRL Q16602 1/20 0.30

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
SCHEMBL17988988 0.91 MAT2A (0.36) CYP17A1CYP1A2MAT2ACALCRL
SCHEMBL803064 0.88 CYP17A1 (0.35) CYP17A1CYP1A2MAT2ADUSP3
SCHEMBL802466 0.87 MAT2A (0.34) CYP17A1CYP1A2MAT2ADUSP3
SCHEMBL17228020 0.84 CYP17A1 (0.32) CYP17A1CYP1A2MAT2A
SCHEMBL17227996 0.84 CYP17A1 (0.32) CYP17A1CYP1A2MAT2A
SCHEMBL17988987 0.83 MAT2A (0.35) CYP17A1CYP1A2MAT2ADUSP3
SCHEMBL802605 0.83 CYP1A2 (0.40) CYP1A2MAT2ACYP11B2
SCHEMBL17228848 0.82 MAT2A (0.34) CYP17A1CYP1A2MAT2ADUSP3
SCHEMBL802465 0.82 DUSP3 (0.32) MAT2ADUSP3
SCHEMBL802173 0.82 MAT2A (0.37) CYP17A1CYP1A2MAT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9537105-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-01-03 — — US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 — — US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 — — US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 — — US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 — — US disclosed
US-20140299865-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-10-09 — — US disclosed
US-20140299865-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-10-09 — — US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 — — US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 — — 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 (2 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-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 CYP17A1 2930/4885CYP1A2 494/4885MAT2A 4430/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 CYP17A1 2930/4885CYP1A2 494/4885MAT2A 4430/4885

“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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