SCHEMBL4175772

SCHEMBL4175772

O=CC(Oc1ccc(Cl)cc1)c1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
PPARG P37231 5/20 0.37
PPARA Q07869 5/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.35
CXCL12 P48061 1/20 0.35
MAOB P27338 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
NR4A2 P43354 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL8666319 0.80 CYP19A1 (0.41) CYP2C9MAOBGAAPOLB
SCHEMBL26999420 0.74 MAPK1 (0.47) MAPK1CXCL12MAOB
SCHEMBL4745736 0.72 ALDH1A1 (0.48) MAPK1PPARGCYP2C9CYP2C19NPSR1
SCHEMBL6147355 0.71 RXRA (0.41) PPARG
SCHEMBL8768071 0.71 CA2 (0.44) MAPK1CYP1A2CYP2C9GAANPSR1
SCHEMBL3412742 0.71 SLC6A4 (0.41) MAPK1
SCHEMBL13223296 0.70 TSHR (0.42) PPARGPPARACYP1A2CYP2C9CYP2C19
SCHEMBL15330419 0.70 PPARG (0.42) PPARGPPARACYP1A2CYP2C9CYP2C19
SCHEMBL5309576 0.70 TYR (0.41) PPARGMAOB
SCHEMBL9421466 0.67 ALDH1A3 (0.44) GAA

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-20090149444-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-06-11 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-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 MAPK1 2703/4885PPARG 3434/4885PPARA 4081/4885

“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.