SCHEMBL2804890

SCHEMBL2804890

COCCCn1nc(I)c2ccc(C(=O)OC)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
GAA P10253 3/20 0.46
PKM P14618 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
CASP3 P42574 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
SCARB1 Q8WTV0 1/20 0.38
RAB9A P51151 1/20 0.38
MET P08581 1/20 0.38

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
SCHEMBL2811756 0.87 ALDH1A1 (0.44) ALDH1A1GAAPKMKDM4EHPGD
SCHEMBL2807350 0.87 REN (0.48) ALDH1A1GAAPKMKDM4EHPGD
SCHEMBL15417889 0.86 REN (0.45) ALDH1A1GAAPKMKDM4EHPGD
SCHEMBL2808772 0.85 CFD (0.42) ALDH1A1GAAPKMKDM4EHPGD
SCHEMBL2806227 0.83 PKM (0.41) ALDH1A1GAAPKMKDM4EHPGD
SCHEMBL25925436 0.81 GAA (0.40) ALDH1A1GAAPKMKDM4EHPGD
SCHEMBL730909 0.79 ALDH1A1 (0.45) ALDH1A1GAAPKMKDM4EHPGD
SCHEMBL15417918 0.77 ESR1 (0.33) ALDH1A1GAAKDM4EKMT2AHSD17B10
SCHEMBL19208285 0.77 KDM4E (0.39) ALDH1A1GAAKDM4EHPGDHTT
SCHEMBL29781868 0.77 KDM4E (0.39) ALDH1A1GAAKDM4EHPGDHTT

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-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 ALDH1A1 2202/4885GAA 2117/4885PKM 780/4885

“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.