SCHEMBL22389060

SCHEMBL22389060

CC1(C)c2cc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)c5oc6ccccc6c5c3-4)c3ccc4ccccc4c3)ccc2-c2c1cc(-c1ccccc1)c1oc3ccccc3c21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDC14B O60729 1/20 0.33
▸ CDC14A Q9UNH5 1/20 0.33
▸ ALK Q9UM73 8/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL20927659 0.94 GPR84 (0.32) ALKNPC1CYP1A2CYP2C9CYP2C19
SCHEMBL20927632 0.94 CDC14B (0.37) CDC14BCDC14AALK
SCHEMBL21790716 0.93 NPC1 (0.30) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL22388862 0.92 GPR84 (0.32) ALKNPC1CYP1A2CYP2C9CYP2C19
SCHEMBL21785497 0.92 — —
SCHEMBL22389233 0.92 ALDH1A1 (0.32) CDC14BCDC14ACYP1A2CYP2C9
SCHEMBL22389040 0.91 CDC14B (0.35) CDC14BCDC14AALK
SCHEMBL25815417 0.91 — —
SCHEMBL20927698 0.91 ALK (0.31) CDC14BCDC14AALK
SCHEMBL20927629 0.90 CDC14B (0.34) CDC14BCDC14AALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578063-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-02-14 — — US disclosed
US-20200277284-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-09-03 — — 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-20200277284-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM CDC14B 4597/4885CDC14A 4518/4885ALK 2858/4885
US-11578063-B2 Materials for organic electroluminescent devices GPX1, EPCAM, EFNA1 CDC14B 4688/4885CDC14A 4632/4885ALK 2189/4885

“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.

Send feedback