SCHEMBL503662

SCHEMBL503662

COC(=O)Cc1c(C(=O)OC)c2cc(Oc3ccc(OC(C)C)cc3)ccc2n1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
MDM2 Q00987 1/20 0.43
TP53 P04637 1/20 0.42
PKM P14618 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MCL1 Q07820 1/20 0.40
PPARD Q03181 1/20 0.39
PPARA Q07869 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
SCHEMBL503848 0.92 MAPT (0.45) MAPTKDM4EMAPK1HTTMDM2
SCHEMBL503613 0.89 MAPT (0.48) MAPTKDM4EMAPK1HTTTP53
SCHEMBL503724 0.86 MAPT (0.58) MAPTKDM4EMAPK1HTTTP53
SCHEMBL503499 0.86 MDM2 (0.45) MAPTKDM4EMDM2MCL1PPARD
SCHEMBL503665 0.82 MRGPRX4 (0.48) MAPTKDM4EMAPK1HTTTP53
SCHEMBL503871 0.81 MEN1 (0.48) MAPTKDM4EMAPK1HTTMDM2
SCHEMBL503554 0.79 MEN1 (0.45) MDM2PTGESMEN1KMT2AUSP14
SCHEMBL503475 0.79 KMT2A (0.43) MAPTKDM4EMDM2TP53MCL1
SCHEMBL503625 0.79 USP14 (0.44) MAPTMAPK1MDM2PKMCYP1A2
SCHEMBL333479 0.77 TP53 (0.52) MAPTMAPK1HTTTP53PKM

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 MAPT 3986/4885KDM4E 1630/4885MAPK1 4134/4885

“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.