SCHEMBL12014681

SCHEMBL12014681

CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(-c5ccc6ccccc6c5)c5cc(N(c6ccccc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc5c(-c5ccc6ccccc6c5)c4c3)cc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SOS1 Q07889 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HDAC4 P56524 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ AKR1C3 P42330 1/20 0.30
▸ AKR1C2 P52895 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
SCHEMBL15002731 1.00 PDK2 (0.33) PDK2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL15002775 0.99 PDK2 (0.33) PDK2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL15002733 0.99 PDK2 (0.33) PDK2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL15002744 0.98 PDK2 (0.32) PDK2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL12014683 0.98 PDK2 (0.32) PDK2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL13333897 0.97 CYP1A2 (0.32) PDK2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL12770697 0.97 HDAC4 (0.33) PDK2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL15002646 0.96 SOS1 (0.32) PDK2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL12337348 0.96 PDK2 (0.33) PDK2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL14330788 0.96 PDK2 (0.31) PDK2CYP1A2CYP2D6CYP2C9TSHR

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-10273404-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-04-30 — — US disclosed
US-20120326602-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-12-27 — — US disclosed
US-20120326602-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-12-27 — — US disclosed
US-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-08-30 — — US disclosed
US-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-08-30 — — US disclosed
WO-2011110276-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-09-15 — — WO disclosed
WO-2011054442-A2 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-05-12 — — WO disclosed
US-20100072888-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-25 — — US disclosed
US-20100072888-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-25 — — 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-20100072888-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same AOC2, SCO2, C1S PDK2 2258/4885CYP1A2 771/4885CYP2D6 821/4885
US-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, DDT, ERCC1 PDK2 1029/4885CYP1A2 578/4885CYP2D6 242/4885

“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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