SCHEMBL26607306

SCHEMBL26607306

COCCOc1nccc2[nH]c(-c3ccc(C(C)(C)C)cc3C)cc(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNJ5 P48544 2/20 0.35
▸ KCNJ3 P48549 2/20 0.35
▸ LRRK2 Q5S007 1/20 0.34
▸ MAOA P21397 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ KDM5A P29375 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ CYP26A1 O43174 1/20 0.31
▸ CYP26B1 Q9NR63 1/20 0.31
▸ DRD1 P21728 1/20 0.31

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
SCHEMBL26607211 0.88 KDM5A (0.36) LRRK2KDM5AKDM4CKDM5BCYP26A1
SCHEMBL26607006 0.88 KDM4E (0.46) MAOA
SCHEMBL26606996 0.88 SCN10A (0.33) PTGS1PTGS2CYP26A1CYP26B1
SCHEMBL26743548 0.82 CYP26A1 (0.35) KDM5AKDM4CKDM5BPTGS1PTGS2
SCHEMBL26606889 0.79 KIF11 (0.37) KDM5AKDM4CKDM5BPTGS1PTGS2
SCHEMBL26607182 0.78 KDM4E (0.35) PTGS1PTGS2CYP26A1CYP26B1DRD1
SCHEMBL26725678 0.78 CYP26A1 (0.39) KDM5AKDM4CKDM5BPTGS1PTGS2
SCHEMBL26607146 0.77 CYP26A1 (0.36) LRRK2KDM5AKDM4CKDM5BPTGS1
SCHEMBL26607293 0.77 CYP26A1 (0.34) KDM5AKDM4CKDM5BPTGS1PTGS2
SCHEMBL26724785 0.73 ALDH1A1 (0.38) CYP26A1CYP26B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4511114-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 — — EP disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 — — US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 — — US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 — — US disclosed
WO-2023205778-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 — — WO disclosed
WO-2023205778-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 — — 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-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 KCNJ5 99/4885KCNJ3 94/4885LRRK2 1774/4885

“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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