SCHEMBL2400531

SCHEMBL2400531

O=C(O)CCCC[C@@H]1CCCOC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 4/20 0.46
PHF8 Q9UPP1 4/20 0.46
KDM2A Q9Y2K7 4/20 0.46
KDM4C Q9H3R0 3/20 0.46
KDM4A O75164 1/20 0.45
KDM7A Q6ZMT4 1/20 0.41
LMNA P02545 4/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 2/20 0.41
PMP22 Q01453 2/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
ACHE P22303 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL1915942 1.00 KDM5A (0.46) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL2397444 1.00 KDM5A (0.46) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL28992207 0.98 KDM5A (0.49) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL28992339 0.98 KDM5A (0.49) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL28992327 0.98 KDM5A (0.49) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL28992184 0.95 KDM5A (0.41) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL16116680 0.89 KDM5A (0.45) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL27033108 0.89 KDM5A (0.45) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL18027848 0.87 LMNA (0.38) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL8642164 0.87 LMNA (0.38) KDM5APHF8KDM2AKDM4CKDM4A

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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC KDM5A 3289/4885PHF8 3395/4885KDM2A 4456/4885

“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.