SCHEMBL718455

SCHEMBL718455

C=C(C)C(=O)OC(CCSC(C)(C)c1ccccc1)CCSC(C)(C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.36
ELANE P08246 1/20 0.34
KCNH2 Q12809 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL718425 0.82 KIF11 (0.36) KIF11CYP2C19HIF1ACNR1CNR2
SCHEMBL285289 0.80 POLB (0.41) KIF11ELANECYP2C19HIF1ACHRM2
SCHEMBL295983 0.77 TDP1 (0.45) KIF11ELANECYP2C19HIF1ACHRM2
SCHEMBL716371 0.77 CYP2C19 (0.37) KIF11ELANECYP2C19HIF1ACHRM2
SCHEMBL285400 0.76 TDP1 (0.47) KIF11ELANECHRM2CHRM4CHRM1
SCHEMBL719627 0.76 KDM4E (0.37) KIF11CYP2C19HIF1ACNR1CNR2
SCHEMBL285578 0.75 TDP1 (0.49) CHRM2CHRM4CHRM1CHRM3
SCHEMBL17891299 0.73 MMP12 (0.50) ELANECNR2KMT2A
SCHEMBL17511150 0.72 ALDH1A1 (0.42) ELANEKMT2A
SCHEMBL716724 0.71 NPC1 (0.48) KIF11CYP2C19HIF1ACNR1CNR2

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-8729203-B2 Polymer composition CONTAMAC LIMITED (GB) 2014-05-20 US disclosed
US-20120053313-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2012-03-01 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-20120053313-A1 POLYMER COMPOSITION UACA, CRYAA, CRYZ KIF11 519/4885ELANE 4130/4885KCNH2 2137/4885

“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.