SCHEMBL25317526

SCHEMBL25317526

CCOC(=O)C(Br)(c1ccc(Br)cc1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ CYP1A2 P05177 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KMT2A Q03164 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ S1PR4 O95977 1/20 0.44
▸ S1PR1 P21453 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MMP8 P22894 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ PMP22 Q01453 1/20 0.40

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
SCHEMBL10707200 0.83 ALDH1A1 (0.47) ALDH1A1CYP1A2LMNANPSR1CYP2C9
SCHEMBL9211 0.83 ALDH1A1 (0.49) ALDH1A1CYP1A2LMNANPSR1CYP2C9
SCHEMBL1684350 0.83 ALDH1A1 (0.49) ALDH1A1CYP1A2LMNANPSR1CYP2C9
SCHEMBL18982867 0.83 ALDH1A1 (0.49) ALDH1A1CYP1A2LMNANPSR1CYP2C9
SCHEMBL23291809 0.81 ALDH1A1 (0.48) ALDH1A1CYP1A2LMNANPSR1CYP2C9
SCHEMBL11384534 0.81 ALDH1A1 (0.50) ALDH1A1CYP1A2LMNANPSR1CYP2C9
SCHEMBL31619451 0.80 CES2 (0.47) ALDH1A1CYP1A2LMNANPSR1CYP2C9
SCHEMBL6135476 0.80 NPSR1 (0.50) ALDH1A1CYP1A2LMNANPSR1CYP2C9
SCHEMBL6135621 0.80 NPSR1 (0.50) ALDH1A1CYP1A2LMNANPSR1CYP2C9
SCHEMBL204187 0.80 NPSR1 (0.50) ALDH1A1CYP1A2LMNANPSR1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043395-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. 2024-02-08 — — US disclosed
EP-4217342-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING Neuropore Therapies, Inc. (US) 2023-08-02 — — EP 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-20240043395-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING TLR3, TLR6, TLR4 ALDH1A1 4634/4885CYP1A2 4857/4885LMNA 2047/4885

“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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