SCHEMBL2606597

SCHEMBL2606597

CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(cc(-c2ccc(C(=O)c4ccccc4)cc2)c2ccccc12)C3(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.37
▸ RARB P10826 1/20 0.34
▸ RARG P13631 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CNR2 P34972 1/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP3 P08254 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ OPRK1 P41145 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL11914401 0.92 PDK2 (0.35) PDK2RARBRARGRXRAMEN1
SCHEMBL11914299 0.83 PDK2 (0.39) PDK2RARBRARGRXRAMEN1
SCHEMBL12952451 0.83 PDK2 (0.40) PDK2RARBRARGRXRAMEN1
SCHEMBL11914292 0.80 MEN1 (0.33) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL10010220 0.78 PDK2 (0.40) PDK2RARBRARGRXRAMEN1
SCHEMBL17061421 0.77 GPR84 (0.36) PDK2MEN1KMT2AMAPTRAB9A
SCHEMBL11914359 0.76 CNR2 (0.41) PDK2RARBRARGRXRAMEN1
SCHEMBL11914400 0.76 CNR2 (0.38) PDK2RARBRARGMEN1KMT2A
SCHEMBL17070681 0.74 CDC25B (0.32) PDK2
SCHEMBL25937157 0.74 LMNA (0.52) PDK2MEN1KMT2ALMNAMAPT

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
US-8241763-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-08-14 — — US disclosed
US-8241763-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-08-14 — — US disclosed
EP-2038370-B1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-25 — — EP disclosed
US-20090261717-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-10-22 — — US disclosed
US-20090261717-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-10-22 — — 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 (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-20090261717-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, SLC26A3, SLCO4C1 PDK2 2586/4885RARB 2503/4885RARG 2482/4885

“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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