SCHEMBL23857056

SCHEMBL23857056

ClCC1(CCOCc2ccccc2)CO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.41
LTA4H P09960 1/20 0.38
NAAA Q02083 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CHRM3 P20309 3/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
SLC6A2 P23975 1/20 0.35
PDE4A P27815 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRM1 P35372 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TACR1 P25103 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SOAT1 P35610 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL28908968 0.88 TSHR (0.41) TSHRALDH1A1LTA4HNAAATAAR1
SCHEMBL23856848 0.78 ALDH1A1 (0.43) TSHRALDH1A1LTA4HCHRM2TACR1
SCHEMBL30959761 0.77 TSHR (0.47) TSHRALDH1A1LTA4HNAAATAAR1
SCHEMBL13279978 0.77 ALDH1A1 (0.50) TSHRALDH1A1LTA4HNAAATAAR1
SCHEMBL4750397 0.77 TSHR (0.47) TSHRALDH1A1LTA4HNAAATAAR1
SCHEMBL10371092 0.75 TSHR (0.54) TSHRALDH1A1TAAR1TACR1
SCHEMBL26688770 0.75 TSHR (0.48) TSHRALDH1A1LTA4HNAAATAAR1
SCHEMBL13423737 0.73 TSHR (0.42) TSHRALDH1A1LTA4HNAAATAAR1
SCHEMBL7689385 0.73 ALDH1A1 (0.47) TSHRALDH1A1LTA4HNAAATAAR1
SCHEMBL879875 0.73 UGCG (0.43) TSHRCHRM3CHRM2CHRM1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126855-B1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2024-04-24 EP disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
EP-4126855-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2023-02-08 EP disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 WO disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 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-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 TSHR 1921/4885ALDH1A1 842/4885LTA4H 44/4885

“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.