SCHEMBL3553596

SCHEMBL3553596

CCCCCCCCOC(=O)c1ccc2cccc(O)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ KDM4A O75164 1/20 0.51
▸ KDM4C Q9H3R0 1/20 0.51
▸ TSHR P16473 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ PIM1 P11309 1/20 0.50
▸ TP53 P04637 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ESR1 P03372 1/20 0.47
▸ AKR1C4 P17516 1/20 0.47
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C2 P52895 1/20 0.47
▸ AKR1C1 Q04828 1/20 0.47
▸ MMP2 P08253 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CNR2 P34972 1/20 0.44

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
SCHEMBL27556665 1.00 KDM4E (0.51) KDM4EKMT2AKDM4AKDM4CTSHR
SCHEMBL28744685 1.00 KDM4E (0.51) KDM4EKMT2AKDM4AKDM4CTSHR
SCHEMBL17652250 0.84 CYP1A2 (0.63) KDM4EKMT2APIM1TP53MAPK1
SCHEMBL28434055 0.82 CYP1A2 (0.64) KDM4EKDM4AKDM4CTSHRLMNA
SCHEMBL5935781 0.80 ALDH1A1 (0.57) KDM4EKMT2ATSHRLMNAALDH1A1
SCHEMBL27906900 0.77 ALDH1A1 (0.65) KDM4EKMT2ATSHRLMNAALDH1A1
SCHEMBL14452075 0.77 ALDH1A1 (0.65) KDM4EKMT2ATSHRLMNAALDH1A1
SCHEMBL27906903 0.77 ALDH1A1 (0.65) KDM4EKMT2ATSHRLMNAALDH1A1
SCHEMBL14106874 0.77 ALDH1A1 (0.65) KDM4EKMT2ATSHRLMNAALDH1A1
SCHEMBL847651 0.76 KDM4E (0.65) KDM4EKMT2ATSHRLMNAALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807668-B2 Anti-inflammatory compounds NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2010-10-05 — — US disclosed
US-20070265253-A1 Anti-Inflammatory Compounds NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2007-11-15 — — US disclosed
EP-1789422-A1 ANTI-INFLAMMATORY COMPOUNDS NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2007-05-30 — — EP disclosed
WO-2006031134-A1 ANTI-INFLAMMATORY COMPOUNDS NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2006-03-23 — — 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-20070265253-A1 Anti-Inflammatory Compounds TNF, PTGS1, PTGES KDM4E 3502/4885KMT2A 4755/4885KDM4A 3552/4885

“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.

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