SCHEMBL503553

SCHEMBL503553

CCN(c1ccc(-n2c(CC(=O)O)c(C(=O)O)c3cc(Oc4ccc(OC(F)(F)F)cc4)ccc32)cc1)c1cccc(C)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.39
PPARG P37231 5/20 0.38
PPARA Q07869 3/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
THRB P10828 2/20 0.36
USP14 P54578 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33

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
SCHEMBL503512 0.94 PPARG (0.43) ELANEPPARGPPARAMEN1KMT2A
SCHEMBL333566 0.86 PPARG (0.41) ELANEPPARGPPARAMEN1KMT2A
SCHEMBL333665 0.84 MEN1 (0.44) ELANEPPARGPPARAMEN1KMT2A
SCHEMBL10076916 0.83 PPARG (0.47) ELANEPPARGPPARAMEN1KMT2A
SCHEMBL333656 0.82 PPARG (0.43) ELANEPPARGPPARAMEN1KMT2A
SCHEMBL333844 0.81 MEN1 (0.45) ELANEMEN1KMT2AMAPTTP53
SCHEMBL333628 0.80 MEN1 (0.42) ELANEPPARGPPARAMEN1KMT2A
SCHEMBL504095 0.80 KDM4C (0.38) ELANEPPARGPPARAMEN1KMT2A
SCHEMBL333611 0.80 PPARG (0.47) PPARGPPARAMEN1KMT2AKDM4E
SCHEMBL333774 0.80 PPARG (0.46) PPARGPPARAMEN1KMT2AAKR1C3

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-20120029016-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SW) 2012-02-02 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-20120029016-A1 Indoles Useful in the Treatment of Inflammation LTC4S, LTB4R2, LTB4R ELANE 190/4885PPARG 3260/4885PPARA 1860/4885

“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.