SCHEMBL26607069

SCHEMBL26607069

COc1cc(F)cc2[nH]c(-c3cc(C)c(C(C)(C)C)cc3C)cc(=O)c12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.34
▸ HPGD P15428 5/20 0.34
▸ KDM4E B2RXH2 5/20 0.34
▸ AHR P35869 1/20 0.34
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ IMPDH2 P12268 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ THRB P10828 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ LOX P28300 1/20 0.30
▸ LOXL3 P58215 1/20 0.30
▸ LOXL2 Q9Y4K0 1/20 0.30
▸ ABCG2 Q9UNQ0 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
SCHEMBL26725227 0.86 KDM4E (0.34) ALDH1A1HPGDKDM4EAHRMEN1
SCHEMBL26606975 0.84 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EAHRMEN1
SCHEMBL26607036 0.84 MEN1 (0.32) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL26725502 0.83 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EAHRMEN1
SCHEMBL26725112 0.82 ALDH1A1 (0.33) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL26607161 0.79 ALDH1A1 (0.35) ALDH1A1HPGDKDM4EAHRMEN1
SCHEMBL30572993 0.79 ALDH1A1 (0.35) ALDH1A1HPGDKDM4EAHRMEN1
SCHEMBL26607105 0.79 ALDH1A1 (0.35) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL26724948 0.75 HPGD (0.35) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL26725873 0.74 SMN1; SMN2 (0.55) ALDH1A1HPGDKDM4EMEN1KMT2A

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 ALDH1A1 1762/4885HPGD 546/4885KDM4E 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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