SCHEMBL503871

SCHEMBL503871

COc1ccc(COc2ccc(-n3c(CC(=O)O)c(C(=O)O)c4cc(Oc5ccc(OC(C)C)cc5)ccc43)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
EDNRA P25101 2/20 0.40
EDNRB P24530 1/20 0.40
FFAR1 O14842 2/20 0.40
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 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
SCHEMBL333231 0.94 MEN1 (0.48) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL503475 0.93 KMT2A (0.43) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL503499 0.93 MDM2 (0.45) MEN1KMT2AMAPTKDM4EPPARD
SCHEMBL503625 0.92 USP14 (0.44) MEN1KMT2AMAPTPPARGPPARD
SCHEMBL504142 0.90 MEN1 (0.44) MEN1KMT2AMAPTPPARGFFAR1
SCHEMBL503612 0.88 NPC1 (0.41) MEN1KMT2ANPC1RAB9APPARD
SCHEMBL503554 0.88 MEN1 (0.45) MEN1KMT2AFFAR1PTGESMDM2
SCHEMBL334235 0.85 BCL2 (0.42) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL503872 0.85 USP14 (0.48) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL10051927 0.85 KMT2A (0.42) MEN1KMT2AMAPTKDM4ESMN1; SMN2

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
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 MEN1 2934/4885KMT2A 1783/4885MAPT 3986/4885

“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.