SCHEMBL4021742

SCHEMBL4021742

CCCCN(CCCC)CCCC.CCS(=O)(=O)O.CS(=O)(=O)O

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 4/20 0.43
CA1 P00915 5/20 0.41
CA12 O43570 3/20 0.41
CA9 Q16790 2/20 0.41
PHF8 Q9UPP1 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
CA2 P00918 3/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PPARA Q07869 2/20 0.35
CACNA1F O60840 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
DRD3 P35462 1/20 0.35
CACNA1D Q01668 1/20 0.35

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
SCHEMBL4644169 0.95 CA1 (0.44) KDM5ACA1CA12CA9PHF8
SCHEMBL27883468 0.95 KDM5A (0.46) KDM5ACA1CA12CA9PHF8
Sulfuric Acid SCHEMBL2148402 0.87 CA1 (0.46) KDM5ACA1CA12CA9PHF8
Sulfuric Acid SCHEMBL5874269 0.87 CA1 (0.46) KDM5ACA1CA12CA9PHF8
Sulfuric Acid SCHEMBL27883459 0.87 CA1 (0.46) KDM5ACA1CA12CA9PHF8
SCHEMBL1131510 0.86 KDM5A (0.41) KDM5ACA1CA12CA9PHF8
SCHEMBL4004155 0.86 KDM5A (0.49) KDM5ACA1PHF8KDM4CCA2
SCHEMBL28730799 0.86 KDM5A (0.49) KDM5ACA1PHF8KDM4CCA2
SCHEMBL13359386 0.84 CA12 (0.40) KDM5ACA1CA12CA9PHF8
SCHEMBL29774219 0.84 APP (0.41) KDM5ACA1CA12CA9PHF8

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-7553406-B2 Process for removing polar impurities from hydrocarbons and mixtures of hydrocarbons MERCK PATENT GMBH (DE) 2009-06-30 US disclosed
US-20050010076-A1 Process for removing polar impurities from hydrocarbons and mixtures of hydrocarbons MERCK PATENT GMBH (DE) 2005-01-13 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-20050010076-A1 Process for removing polar impurities from hydrocarbons and mixtures of hydrocarbons H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AHR, HNRNPH3 KDM5A 4170/4885CA1 4779/4885CA12 3855/4885

“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.