SCHEMBL2603551

SCHEMBL2603551

CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc3c4cc(C(=O)c5ccccc5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.35
▸ HSD17B1 P14061 4/20 0.33
▸ HSD17B2 P37059 4/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ PDK2 Q15119 3/20 0.33
▸ PPARG P37231 2/20 0.33
▸ RARA P10276 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ RARG P13631 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SRC P12931 1/20 0.32
▸ PRKACA P17612 1/20 0.32
▸ PRKACG P22612 1/20 0.32
▸ PRKACB P22694 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL2603549 0.95 CNR2 (0.37) CNR2CYP19A1PDK2PPARGALDH1A1
SCHEMBL2603548 0.93 PDK2 (0.38) CNR2CYP19A1PDK2PPARGALDH1A1
SCHEMBL16160489 0.89 CNR2 (0.38) CNR2HSD17B1HSD17B2CYP19A1PDK2
SCHEMBL2603520 0.88 CNR2 (0.36) CNR2CYP19A1PDK2PPARGRARA
SCHEMBL2603550 0.86 PDK2 (0.39) CNR2HSD17B1HSD17B2CYP19A1PDK2
SCHEMBL18505567 0.86 PDK2 (0.32) PDK2
SCHEMBL19723456 0.83 PDK2 (0.32) PDK2RARARARBRARG
SCHEMBL19104579 0.81 DUSP3 (0.32) PDK2
SCHEMBL18505563 0.81 PDK2 (0.33) PDK2
SCHEMBL24217022 0.80 DUSP3 (0.32) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040172-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-05-26 — — US disclosed
US-9040172-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-05-26 — — 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-20120097899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-26 — — US disclosed
US-20120097899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-26 — — 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 (1 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-20120097899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, ICMT, NUDC CNR2 3952/4885HSD17B1 4486/4885HSD17B2 4367/4885

“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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