SCHEMBL24325443

SCHEMBL24325443

CC(C)(C)c1ccc(Br)c(CCO)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 5/20 0.42
▸ CYP2C19 P33261 5/20 0.40
▸ CYP1A2 P05177 4/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KLF10 Q13118 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAPT P10636 2/20 0.36

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
SCHEMBL27012358 0.83 CYP2D6 (0.40) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL3410622 0.81 IDO1 (0.42) CYP2D6MEN1KMT2ANPSR1MAPT
SCHEMBL28863770 0.79 CYP2D6 (0.61) CYP2D6CYP2C19CYP1A2HIF1AALDH1A1
SCHEMBL9155665 0.79 CYP2D6 (0.43) CYP2D6CYP2C19CYP1A2ALDH1A1HSD17B10
SCHEMBL11542336 0.79 CYP2D6 (0.42) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL2292995 0.79 CYP2D6 (0.42) CYP2D6CYP2C19CYP1A2CYP2C9HIF1A
SCHEMBL9646569 0.78 ALDH1A1 (0.48) CYP2D6CYP2C19CYP1A2ALDH1A1HSD17B10
SCHEMBL19222193 0.78 CYP2D6 (0.42) CYP2D6CYP2C19CYP1A2ALDH1A1HSD17B10
SCHEMBL15800261 0.77 HTR1D (0.44) CYP2D6CYP2C19CYP1A2ALDH1A1HSD17B10
SCHEMBL9250696 0.76 CYP1A2 (0.42) CYP2D6CYP2C19CYP1A2CYP2C9ALDH1A1

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
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 — — US disclosed
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 — — US disclosed
CN-116670143-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-29 — — CN disclosed
EP-4225447-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — 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-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CYP2D6 4394/4885CYP2C19 4432/4885CYP1A2 4575/4885

“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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