SCHEMBL26324906

SCHEMBL26324906

CCCCN(c1cc(F)c(C)c(Cl)c1)C(C(=O)OC(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.34
PPARD Q03181 4/20 0.34
PPARA Q07869 4/20 0.34
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL26324909 0.84 PPARG (0.31) PPARGPPARDPPARA
SCHEMBL26324900 0.83 SMN1; SMN2 (0.38) PPARGPPARDPPARATSHR
SCHEMBL26324912 0.83 HDAC3 (0.32)
SCHEMBL26324895 0.79 CHRNB2 (0.37) PPARGPPARDPPARACYP1A2CYP2C19
SCHEMBL26324897 0.77 RAB9A (0.34) PPARGPPARDPPARA
SCHEMBL20565362 0.77 NR1H2 (0.35) PPARGPPARDPPARACYP1A2CYP2C19
SCHEMBL26324890 0.76 ALDH1A1 (0.39) CYP1A2CYP2C19TSHR
SCHEMBL26324917 0.76 HDAC1 (0.38) TSHR
SCHEMBL26324915 0.73 HDAC3 (0.38) PPARGPPARA
SCHEMBL25439960 0.72 HDAC3 (0.33)

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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents PNMT, NCL, NPM1 PPARG 4176/4885PPARD 4420/4885PPARA 3910/4885

“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.