SCHEMBL503725

SCHEMBL503725

COC(=O)c1c(C(=O)OC)n(-c2ccc(OCc3ccccc3)cc2)c2ccc(O)c(C)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
KDM4E B2RXH2 3/20 0.48
HTT P42858 3/20 0.48
MAPK1 P28482 2/20 0.48
PKM P14618 4/20 0.45
HPGD P15428 3/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL3707097 0.83 MDM2 (0.41) MAPTKDM4EHTTMAPK1PKM
SCHEMBL503724 0.72 MAPT (0.58) MAPTKDM4EHTTMAPK1PKM
SCHEMBL31643383 0.70 LMNA (0.64) MAPTKDM4EPKMHPGDHSD17B10
SCHEMBL3710797 0.69 MAPT (0.43) MAPTKDM4EHTTMAPK1PKM
SCHEMBL9536907 0.69 KDM4E (0.54) MAPTKDM4EHTTMAPK1PKM
SCHEMBL13795619 0.69 NPC1 (0.49) MAPTKDM4EHTTPKMHPGD
SCHEMBL31643552 0.68 HPGD (0.61) MAPTMAPK1PKMHPGDALOX15
SCHEMBL8926976 0.68 PTGDR2 (0.48) MAPTKDM4EHTTPKMCYP1A2
SCHEMBL978502 0.67 RAB9A (0.71) MAPTHTTHPGDSMN1; SMN2ALDH1A1
SCHEMBL10761739 0.67 MAPK8 (0.52) MAPTKDM4EPKMHPGDALOX15

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 MAPT 3986/4885KDM4E 1630/4885HTT 3222/4885

“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.