SCHEMBL25922304

SCHEMBL25922304

Cc1cnc([C@@H](C)Cc2ccc(OCc3ccccc3)cc2)o1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
LTA4H P09960 1/20 0.46
MAOB P27338 3/20 0.45
MAOA P21397 1/20 0.45
BCHE P06276 3/20 0.45
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
IDH1 O75874 1/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL16252385 0.88 SIGMAR1 (0.40) SIGMAR1MAOBMAOAL3MBTL1SLC6A2
SCHEMBL19982217 0.86 LTA4H (0.51) SIGMAR1LTA4HMAOBMAOABCHE
Hydrochloric Acid SCHEMBL23296245 0.85 LTA4H (0.50) SIGMAR1LTA4HMAOBMAOAPPARG
Hydrochloric Acid SCHEMBL25326756 0.85 LTA4H (0.50) SIGMAR1LTA4HMAOBMAOAPPARG
SCHEMBL25922307 0.82 CYP2C9 (0.41) LMNACYP1A2CYP2C19
SCHEMBL23296264 0.81 PPARG (0.47) LTA4HMAOBPPARGPPARA
SCHEMBL23296263 0.81 PPARG (0.47) LTA4HMAOBPPARGPPARA
SCHEMBL13550298 0.80 IDH1 (0.47) MAOBMAOALMNAL3MBTL1IDH1
Hydrochloric Acid SCHEMBL19974577 0.78 MAOB (0.47) MAOBMAOALMNAL3MBTL1IDH1
SCHEMBL3547334 0.77 MAOB (0.47) MAOBMAOABCHELMNAL3MBTL1

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-20230234924-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2023-07-27 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-20230234924-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 YAP1, YES1, MYC SIGMAR1 3281/4885LTA4H 4828/4885MAOB 4496/4885

“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.