SCHEMBL5954664

SCHEMBL5954664

C1=C(C2CCCC3CCCCC32)CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.53
CYP2C19 P33261 2/20 0.33
ESR1 P03372 2/20 0.33
CHRM2 P08172 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
ACHE P22303 1/20 0.33
PGR P06401 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MAOA P21397 1/20 0.32
OPRK1 P41145 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
ADORA3 P0DMS8 1/20 0.30
AR P10275 1/20 0.30
CHRM1 P11229 1/20 0.30
PTGS1 P23219 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
SCHEMBL5045380 0.85 KDM1A (0.42) KDM1ACYP19A1
SCHEMBL31259415 0.84 KDM1A (0.41) KDM1ACYP2C19ESR1CHRM2SLC6A2
SCHEMBL29783048 0.77 ESR1 (0.41) KDM1ACYP2C19ESR1CHRM2SLC6A2
SCHEMBL22390150 0.77 KDM1A (0.33) KDM1A
SCHEMBL17471041 0.73 KDM1A (0.52) KDM1ACYP2C19ESR1CHRM2SLC6A2
SCHEMBL20373935 0.73 KDM1A (0.68) KDM1A
SCHEMBL6439604 0.73 KDM1A (0.52) KDM1ACYP2C19ESR1CHRM2SLC6A2
Biphenyl SCHEMBL8632177 0.71 KDM1A (0.44) KDM1AALDH1A1
SCHEMBL25703000 0.69 KDM1A (0.52) KDM1ACYP2C19ESR1CHRM2SLC6A2
SCHEMBL1904517 0.69 KDM1A (0.50) KDM1A

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-20060229314-A1 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors AVANIR PHARMACEUTICALS 2006-10-12 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-20060229314-A1 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors MIF, MMP12, MSR1 KDM1A 2455/4885CYP2C19 2933/4885ESR1 3513/4885

“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.