SCHEMBL16477771

SCHEMBL16477771

CC#CCCCCC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAOX Q6QHF9 3/20 0.44
▸ PTPN7 P35236 5/20 0.42
▸ HMGCR P04035 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ ACHE P22303 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BLM P54132 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
SCHEMBL17446915 0.93 — —
SCHEMBL10233415 0.82 — —
SCHEMBL9366458 0.81 PTPN7 (0.63) PTPN7HMGCRALDH1A1CYP1A2CYP2C9
SCHEMBL10357184 0.80 PTPN7 (0.35) PTPN7HMGCRCYP1A2CYP2C9KDM4E
SCHEMBL3626347 0.79 PTPN7 (0.67) PTPN7HMGCRALDH1A1CYP1A2CYP2C9
SCHEMBL2123036 0.79 PTPN7 (0.67) PTPN7HMGCRALDH1A1CYP1A2CYP2C9
SCHEMBL11287906 0.79 PTPN7 (0.45) PAOXPTPN7HMGCRALDH1A1ACHE
SCHEMBL5375334 0.79 PTPN7 (0.67) PTPN7HMGCRALDH1A1CYP1A2CYP2C9
SCHEMBL10404839 0.79 PTPN7 (0.67) PTPN7HMGCRALDH1A1CYP1A2CYP2C9
SCHEMBL9517488 0.79 PTPN7 (0.45) PTPN7HMGCRCYP1A2CYP2C9KDM4E

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-20140199243-A1 BIFUNCTIONAL PHOSPHONATE CHELATING AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-07-17 — — 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-20140199243-A1 BIFUNCTIONAL PHOSPHONATE CHELATING AGENTS PHOSPHO1, ATIC, HLA-C PAOX 920/4885PTPN7 863/4885HMGCR 4139/4885

“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.

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