SCHEMBL25698186

SCHEMBL25698186

O[C@H]1CCCCC[C@H]1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.54
PTGS2 P35354 6/20 0.54
MT-CO1 P00395 1/20 0.54
MT-CO2 P00403 1/20 0.54
SLC18A3 Q16572 6/20 0.53
GBA1 P04062 1/20 0.50
POLB P06746 1/20 0.44
HSD11B1 P28845 1/20 0.44

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
SCHEMBL25698182 1.00 PTGS1 (0.54) PTGS1PTGS2MT-CO1MT-CO2SLC18A3
SCHEMBL11591641 1.00 PTGS1 (0.54) PTGS1PTGS2MT-CO1MT-CO2SLC18A3
SCHEMBL8417619 0.98 PTGS1 (0.55) PTGS1PTGS2MT-CO1MT-CO2SLC18A3
SCHEMBL8414647 0.98 PTGS1 (0.55) PTGS1PTGS2MT-CO1MT-CO2SLC18A3
SCHEMBL8417618 0.98 PTGS1 (0.55) PTGS1PTGS2MT-CO1MT-CO2SLC18A3
SCHEMBL8414650 0.98 PTGS1 (0.55) PTGS1PTGS2MT-CO1MT-CO2SLC18A3
SCHEMBL8414651 0.98 PTGS1 (0.55) PTGS1PTGS2MT-CO1MT-CO2SLC18A3
Cyclohexanol SCHEMBL8424527 0.95 PTGS1 (0.50) PTGS1PTGS2MT-CO1MT-CO2SLC18A3
SCHEMBL16766407 0.94 PTGS1 (0.59) PTGS1PTGS2MT-CO1MT-CO2SLC18A3
SCHEMBL25698143 0.94 PTGS1 (0.59) PTGS1PTGS2MT-CO1MT-CO2SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2023-06-27 US 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-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof ATM, CHEK2, CHEK1 PTGS1 3244/4885PTGS2 3421/4885MT-CO1 2832/4885

“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.