SCHEMBL4845779

SCHEMBL4845779

CCc1oc(-c2ccco2)nc1COc1ccc(COc2nn(-c3ccccc3)cc2C=CCO)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
HSD17B10 Q99714 4/20 0.41
TSHR P16473 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.41
PPARG P37231 1/20 0.40
PTGER4 P35408 2/20 0.34
PTGER2 P43116 2/20 0.34
LMNA P02545 6/20 0.34
USP2 O75604 2/20 0.34
ALOX15 P16050 2/20 0.34
MAPK1 P28482 2/20 0.34
ADORA2A P29274 2/20 0.34
TP53 P04637 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA1 P30542 1/20 0.34
F2RL3 Q96RI0 1/20 0.32
PTGER3 P43115 1/20 0.32

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
SCHEMBL4845770 1.00 KDM4E (0.41) KDM4ESMN1; SMN2HSD17B10TSHRALDH1A1
SCHEMBL4854007 0.93 PPARG (0.47) KDM4ESMN1; SMN2HSD17B10TSHRALDH1A1
SCHEMBL4853994 0.93 PPARG (0.47) KDM4ESMN1; SMN2HSD17B10TSHRALDH1A1
SCHEMBL4845621 0.84 PPARG (0.48) KDM4ESMN1; SMN2HSD17B10TSHRALDH1A1
SCHEMBL4845632 0.84 PPARG (0.48) KDM4ESMN1; SMN2HSD17B10TSHRALDH1A1
SCHEMBL4851132 0.84 PPARG (0.47) KDM4ESMN1; SMN2HSD17B10TSHRALDH1A1
SCHEMBL4851145 0.84 PPARG (0.47) KDM4ESMN1; SMN2HSD17B10TSHRALDH1A1
SCHEMBL4848460 0.83 PPARG (0.51) KDM4ESMN1; SMN2HSD17B10TSHRALDH1A1
SCHEMBL4851592 0.83 PPARG (0.48) KDM4ESMN1; SMN2HSD17B10TSHRALDH1A1
SCHEMBL4851599 0.83 PPARG (0.48) KDM4ESMN1; SMN2HSD17B10TSHRALDH1A1

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-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 KDM4E 719/4885SMN1; SMN2 4339/4885HSD17B10 23/4885

“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.