SCHEMBL26607039

SCHEMBL26607039

COc1cccc2[nH]c(-c3ccc(C(C)(C)C)cc3C)cc(=O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLH Q9Y253 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ AR P10275 5/20 0.38
▸ KCNA5 P22460 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ IMPDH2 P12268 1/20 0.38
▸ LOX P28300 1/20 0.38
▸ LOXL3 P58215 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ SLC2A1 P11166 1/20 0.37

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
SCHEMBL26725501 0.84 ALDH1A1 (0.36) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL26606975 0.84 ALDH1A1 (0.37) ABCG2KDM4EALDH1A1HPGDMEN1
SCHEMBL26724785 0.83 ALDH1A1 (0.38) ALDH1A1HPGDMEN1RAB9AKMT2A
SCHEMBL26607349 0.83 HDAC4 (0.46) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL26725226 0.82 ALDH1A1 (0.38) ABCG2KDM4EALDH1A1HPGDMEN1
SCHEMBL26724346 0.80 CSNK1D (0.35) KDM4EALDH1A1HPGDRAB9APARP1
SCHEMBL26607211 0.80 KDM5A (0.36) IMPDH2
SCHEMBL26724957 0.79 ALDH1A1 (0.38) KDM4EALDH1A1HPGDMEN1RAB9A
SCHEMBL26606985 0.79 BTK (0.38) PARP1
SCHEMBL26846921 0.77 CTSV (0.54) KDM4EALDH1A1HPGDMEN1MAPT

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 POLH 4348/4885ABCG2 105/4885KDM4E 4346/4885

“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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