SCHEMBL5481622

SCHEMBL5481622

[CH2]C[C@H](CCC)Oc1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.57
PPARA Q07869 3/20 0.57
CYP1A2 P05177 2/20 0.43
CYP2A6 P11509 2/20 0.43
CETP P11597 1/20 0.40
RAB9A P51151 1/20 0.40
AGXT P21549 2/20 0.40
PTPN7 P35236 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 1/20 0.38
ALOX5 P09917 1/20 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
SCHEMBL5479117 1.00 PPARG (0.57) PPARGPPARACYP1A2CYP2A6CETP
SCHEMBL5481817 0.80 PPARG (0.54) PPARGPPARACETPRAB9ASLC6A2
SCHEMBL5481812 0.80 PPARG (0.54) PPARGPPARACETPRAB9ASLC6A2
SCHEMBL5481816 0.80 PPARG (0.54) PPARGPPARACETPRAB9ASLC6A2
SCHEMBL3991808 0.79 PPARG (0.52) PPARGPPARACYP1A2CYP2A6CETP
SCHEMBL3991812 0.79 PPARG (0.52) PPARGPPARACYP1A2CYP2A6CETP
Hydrochloric Acid SCHEMBL5475519 0.79 PPARG (0.52) PPARGPPARACETPRAB9ASLC6A2
Hydrochloric Acid SCHEMBL5475524 0.79 PPARG (0.52) PPARGPPARACETPRAB9ASLC6A2
Hydrochloric Acid SCHEMBL5475527 0.79 PPARG (0.52) PPARGPPARACETPRAB9ASLC6A2
SCHEMBL28754571 0.79 PPARG (0.59) PPARGPPARACETPRAB9APTPN7

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-20070072859-A1 Pharmaceutical compounds ELI LILLY AND COMPANY (US) 2007-03-29 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-20070072859-A1 Pharmaceutical compounds ADRB3, HTR3C, SLC6A2 PPARG 3659/4885PPARA 4023/4885CYP1A2 298/4885

“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.