SCHEMBL782532

SCHEMBL782532

CC1(C)c2ccccc2-c2cc3c4cc(-c5cccc(-c6cccc(C(=O)c7ccccc7)c6)c5)ccc4n(-c4ccccc4)c3cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 6/20 0.37
▸ CNR2 P34972 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ KMO O15229 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PBRM1 Q86U86 1/20 0.32
▸ CNR1 P21554 3/20 0.32
▸ PGR P06401 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ PTGS1 P23219 2/20 0.32
▸ PTGS2 P35354 2/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ CXCR1 P25024 1/20 0.32
▸ CXCR2 P25025 1/20 0.32
▸ RECQL P46063 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
SCHEMBL783103 0.90 CNR2 (0.36) PDK2CNR2ALDH1A1ATMTDP1
SCHEMBL783189 0.89 PDK2 (0.38) PDK2CNR2SMN1; SMN2ALDH1A1GLA
SCHEMBL12455989 0.88 PDK2 (0.33) PDK2CNR2SMN1; SMN2ALDH1A1GLA
SCHEMBL782757 0.88 PDK2 (0.35) PDK2CNR2ALDH1A1ATMTDP1
SCHEMBL803044 0.88 PDK2 (0.38) PDK2CNR2SMN1; SMN2ALDH1A1GLA
SCHEMBL2603612 0.87 PDK2 (0.36) PDK2CNR2SMN1; SMN2ALDH1A1GLA
SCHEMBL2603601 0.87 CNR2 (0.38) PDK2CNR2ALDH1A1KMOATM
SCHEMBL2603611 0.87 CNR2 (0.37) PDK2CNR2ALDH1A1ATMTDP1
SCHEMBL12117351 0.87 PDK2 (0.42) PDK2CNR2SMN1; SMN2ALDH1A1GLA
SCHEMBL16641281 0.87 L3MBTL1 (0.41) ALDH1A1ATML3MBTL1PGRMAPT

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 13 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-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-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-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 — — 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
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 — — US disclosed
WO-2010136109-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-12-02 — — WO disclosed
WO-2010136109-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-12-02 — — WO 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 PDK2 2085/4885CNR2 2640/4885SMN1; SMN2 4462/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 PDK2 2085/4885CNR2 2640/4885SMN1; SMN2 4462/4885

“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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