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Sugi Predict / Compounds / SCHEMBL17816752

SCHEMBL17816752

SCHEMBL17816752

CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MLNR O43193 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ ADRA2B P18089 1/20 0.33

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
SCHEMBL17816602 1.00 PDK2 (0.41) PDK2ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL24647695 0.98 PDK2 (0.42) PDK2ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL25563012 0.98 PDK2 (0.42) PDK2ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL10038927 0.98 PDK2 (0.42) PDK2ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL25562972 0.98 PDK2 (0.42) PDK2ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL21922644 0.98 PDK2 (0.42) PDK2ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL21559383 0.97 PDK2 (0.41) PDK2ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL21037618 0.97 PDK2 (0.41) PDK2ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL18027554 0.97 PDK2 (0.41) PDK2ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL24647400 0.95 PDK2 (0.42) PDK2ALDH1A1L3MBTL1KDM4EMAPT

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-3227269-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-02-26 — — EP disclosed
US-10573818-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2020-02-25 — — US disclosed
US-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-02 — — US disclosed
US-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-02 — — US disclosed
WO-2016087017-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-06-09 — — 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-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, LEF1, EFNA1 PDK2 893/4885ALDH1A1 20/4885L3MBTL1 2767/4885
US-10573818-B2 Materials for organic electroluminescent devices PIEZO1, LEF1, EFNA1 PDK2 893/4885ALDH1A1 20/4885L3MBTL1 2767/4885

“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.