SCHEMBL21064480

SCHEMBL21064480

CCc1cccc2c1-c1ccccc1-c1c(I)cccc1C21c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 6/20 0.48
▸ CYP2D6 P10635 1/20 0.40
▸ HTR7 P34969 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ GABRA1 P14867 2/20 0.32
▸ GABRB2 P47870 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ ANPEP P15144 1/20 0.30
▸ DPP4 P27487 1/20 0.30
▸ KEAP1 Q14145 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
SCHEMBL19172293 0.84 KDM4E (0.38) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL18392094 0.82 KDM4E (0.39) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL21064487 0.80 PDK2 (0.47) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL23746045 0.75 CYP2D6 (0.50) PDK2CYP2D6GABRA1GABRB2KDM4E
SCHEMBL21303336 0.74 PDK2 (0.49) PDK2CYP2D6HTR7HTR2BGABRA1
SCHEMBL29488299 0.72 MEN1 (0.60) PDK2CYP2D6HTR7HTR2BGABRA1
SCHEMBL18079825 0.71 ADORA2A (0.42) PDK2CYP2D6KDM4EMEN1LMNA
SCHEMBL20889206 0.70 KDM4E (0.42) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL18466391 0.70 MEN1 (0.44) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL16544651 0.70 PDK2 (0.41) PDK2CYP2D6KDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10312459-B2 Compound and organic electronic device using the same NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2019-06-04 — — 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-10312459-B2 Compound and organic electronic device using the same OR51E2, OR10J3, ESR1 PDK2 1279/4885CYP2D6 57/4885HTR7 3956/4885

“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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