SCHEMBL26606984

SCHEMBL26606984

Cc1cc(C(C)(C)C)ccc1-c1cc(=O)c2c(O)cc(F)cc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ CYP26A1 O43174 1/20 0.36
▸ CYP26B1 Q9NR63 1/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ PLA2G1B P04054 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ CASP3 P42574 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
SCHEMBL26606891 0.90 MEN1 (0.35) ALDH1A1MEN1KMT2AHPGDTHRB
SCHEMBL30573010 0.90 MEN1 (0.35) ALDH1A1MEN1KMT2AHPGDTHRB
SCHEMBL26607281 0.88 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHPGDTHRB
SCHEMBL26606975 0.84 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AHPGDTHRB
SCHEMBL26607036 0.83 MEN1 (0.32) ALDH1A1MEN1KMT2AHPGDTHRB
SCHEMBL26607349 0.83 HDAC4 (0.46) ALDH1A1MEN1KMT2AHPGDCYP26A1
SCHEMBL26725222 0.83 MEN1 (0.35) ALDH1A1MEN1KMT2AHPGDTHRB
SCHEMBL26847075 0.79 MEN1 (0.56) ALDH1A1MEN1KMT2AHPGDTHRB
SCHEMBL26724785 0.78 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AHPGDTHRB
SCHEMBL26725226 0.78 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AHPGDTHRB

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 1762/4885MEN1 3962/4885KMT2A 3649/4885

“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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