SCHEMBL11604196

SCHEMBL11604196

C/C=C/CCC(=O)CC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
KDM6B O15054 1/20 0.50
KDM5C P41229 1/20 0.50
EGLN1 Q9GZT9 1/20 0.50
PHF8 Q9UPP1 1/20 0.50
KDM2A Q9Y2K7 1/20 0.50
SOAT1 P35610 1/20 0.37
ALDH1A1 P00352 3/20 0.35
PPARG P37231 2/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
HTT P42858 1/20 0.31
MAPT P10636 2/20 0.30
FFAR1 O14842 1/20 0.30
CYP19A1 P11511 1/20 0.30
RXRA P19793 1/20 0.30

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
SCHEMBL11247462 1.00 KDM4E (0.50) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL10300840 0.87 SOAT1 (0.51) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL8456478 0.86 KDM4E (0.46) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL8456484 0.86 KDM4E (0.46) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL1431692 0.82 SOAT1 (0.47) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL1431691 0.82 SOAT1 (0.47) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL28428639 0.82 ALDH1A1 (0.50) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL28708860 0.82 KDM4E (0.46) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL7998543 0.82 MAPT (0.36) SOAT1ALDH1A1PPARGPPARDPPARA
SCHEMBL11819753 0.81 ALDH1A1 (0.48) KDM4EKDM6BKDM5CEGLN1PHF8

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-20160215012-A1 AMPHOTERICIN B DERIVATIVES WITH IMPROVED THERAPEUTIC INDEX THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (IL) 2016-07-28 US disclosed
US-4073799-A Process for producing 3-formylcyclopentanone derivatives (ZAIDANHOJIN) SAGAMI CHEMICAL RESEARCH CENTER (JA) 1978-02-14 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-20160215012-A1 AMPHOTERICIN B DERIVATIVES WITH IMPROVED THERAPEUTIC INDEX C9, AMPD3, C5 KDM4E 3936/4885KDM6B 2107/4885KDM5C 2413/4885

“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.