SCHEMBL20209084

SCHEMBL20209084

c1ccc(-c2ccc(N(c3ccc4c(c3)oc3cc5cc6c(cc5cc34)oc3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5ccccc45)ccc36)c3cccc4ccccc34)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DUSP3 P51452 1/20 0.32
▸ CYP1A1 P04798 4/20 0.32
▸ CYP1A2 P05177 4/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ MAPT P10636 4/20 0.32
▸ HPGD P15428 4/20 0.32
▸ CYP1B1 Q16678 3/20 0.32
▸ AHR P35869 3/20 0.32
▸ SIGMAR1 Q99720 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ TSHR P16473 3/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ ABCG2 Q9UNQ0 2/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ CYP2C9 P11712 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
SCHEMBL14295641 0.95 DUSP3 (0.33) DUSP3CYP1A1CYP1A2KDM4EMAPT
SCHEMBL19103111 0.92 MMP12 (0.36) DUSP3CYP1A1CYP1A2KDM4EMAPT
SCHEMBL14295279 0.91 AHR (0.38) DUSP3CYP1A1CYP1A2KDM4EMAPT
SCHEMBL26490571 0.91 SIGMAR1 (0.36) DUSP3CYP1A1CYP1A2KDM4EMAPT
SCHEMBL21281964 0.90 KDM4E (0.34) DUSP3CYP1A1CYP1A2KDM4EMAPT
SCHEMBL26490594 0.90 KDM4E (0.35) CYP1A1CYP1A2KDM4EMAPTHPGD
SCHEMBL15138656 0.90 AHR (0.37) DUSP3CYP1A1CYP1A2KDM4EMAPT
SCHEMBL14295280 0.90 AHR (0.37) DUSP3CYP1A1CYP1A2KDM4EMAPT
SCHEMBL15138510 0.90 AHR (0.39) DUSP3KDM4EMAPTHPGDAHR
SCHEMBL17740635 0.90 MMP12 (0.36) DUSP3CYP1A1CYP1A2KDM4EMAPT

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-11239426-B2 Electroactive compounds LG CHEM, LTD. 2022-02-01 — — US disclosed
WO-2018097937-A1 ELECTROACTIVE COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2018-05-31 — — 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 (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-11239426-B2 Electroactive compounds KCNN2, HCN2, KCNN3 DUSP3 3971/4885CYP1A1 287/4885CYP1A2 195/4885

“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