SCHEMBL503665

SCHEMBL503665

COC(=O)c1c(CC(=O)O)n(-c2ccc(OCc3ccccc3)cc2)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.48
MAPT P10636 5/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
PKM P14618 3/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPARG P37231 4/20 0.41
PPARA Q07869 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PLA2G4A P47712 1/20 0.40
PLA2G2A P14555 1/20 0.39

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
SCHEMBL503870 0.92 MRGPRX4 (0.47) MRGPRX4KDM4EPPARGPPARAPLA2G4A
SCHEMBL503637 0.90 MAPT (0.48) MAPTKDM4EMAPK1HTTPKM
SCHEMBL10076916 0.84 PPARG (0.47) MAPTKDM4EHTTPPARGPPARA
SCHEMBL503662 0.82 MAPT (0.44) MAPTKDM4EMAPK1HTTPKM
SCHEMBL504299 0.82 FFAR1 (0.46) MAPTHTTPPARGPPARASMN1; SMN2
SCHEMBL503626 0.80 L3MBTL1 (0.45) MAPTKDM4EMAPK1HTTPKM
SCHEMBL333656 0.80 PPARG (0.43) MAPTKDM4EPPARGPPARAPLA2G4A
SCHEMBL503724 0.80 MAPT (0.58) MAPTKDM4EMAPK1HTTPKM
SCHEMBL503499 0.80 MDM2 (0.45) MAPTKDM4EPPARAPLA2G4AMEN1
SCHEMBL333774 0.79 PPARG (0.46) PPARGPPARAPLA2G4AMEN1KMT2A

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-20120029016-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SW) 2012-02-02 US disclosed
WO-2010076566-A2 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2010-07-08 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-20120029016-A1 Indoles Useful in the Treatment of Inflammation LTC4S, LTB4R2, LTB4R MRGPRX4 179/4885MAPT 3986/4885KDM4E 1630/4885

“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.