SCHEMBL29908110

SCHEMBL29908110

COC(=O)c1c(C)noc1-c1ccc(O)c(C)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
KCNH2 Q12809 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
NPC1 O15118 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PTGS1 P23219 1/20 0.42
ALDH1A1 P00352 2/20 0.40
PKM P14618 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
POLB P06746 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CNR2 P34972 1/20 0.40
CYP3A4 P08684 2/20 0.39
ACHE P22303 1/20 0.39
HPGD P15428 2/20 0.38

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
SCHEMBL29907964 0.85 HTT (0.59) HTTKCNH2HRH3NPC1L3MBTL1
SCHEMBL30424797 0.85 HTT (0.59) HTTKCNH2HRH3NPC1L3MBTL1
SCHEMBL25340797 0.85 HTT (0.59) HTTKCNH2HRH3NPC1L3MBTL1
SCHEMBL25340410 0.85 HTT (0.59) HTTKCNH2HRH3NPC1L3MBTL1
SCHEMBL25955159 0.83 HTT (0.56) HTTKCNH2HRH3NPC1L3MBTL1
SCHEMBL29908028 0.82 HTT (0.59) HTTKCNH2HRH3NPC1L3MBTL1
SCHEMBL25953688 0.81 HTT (0.54) HTTKCNH2HRH3NPC1L3MBTL1
SCHEMBL31138083 0.81 HTT (0.54) HTTKCNH2HRH3NPC1L3MBTL1
SCHEMBL29908046 0.78 HTT (0.57) HTTNPC1L3MBTL1PTGS1ALDH1A1
SCHEMBL25245982 0.77 HTT (0.50) HTTKCNH2HRH3NPC1L3MBTL1

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-20250066341-A1 CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2025-02-27 US disclosed
WO-2022174882-A1 5-MEMBERED HETEROCYCLYL CARBAMATE DERIVATIVES AS DUAL LPA RECEPTOR 1 AND LPA RECEPTOR 2 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-08-25 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-20250066341-A1 CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS LPAR1, LPAR2, LPAR3 HTT 4198/4885KCNH2 3152/4885HRH3 305/4885

“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.