SCHEMBL9366458

SCHEMBL9366458

CC#CCCCCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.63
HMGCR P04035 3/20 0.63
TDP1 Q9NUW8 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
RECQL P46063 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
BLM P54132 1/20 0.53
MCL1 Q07820 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL26624468 0.98 PTPN7 (0.67) PTPN7HMGCRTDP1ALDH1A1MAPT
SCHEMBL3626347 0.98 PTPN7 (0.67) PTPN7HMGCRTDP1ALDH1A1MAPT
SCHEMBL28743000 0.98 PTPN7 (0.67) PTPN7HMGCRTDP1ALDH1A1MAPT
SCHEMBL26251491 0.98 PTPN7 (0.67) PTPN7HMGCRTDP1ALDH1A1MAPT
SCHEMBL5375334 0.98 PTPN7 (0.67) PTPN7HMGCRTDP1ALDH1A1MAPT
SCHEMBL2123036 0.98 PTPN7 (0.67) PTPN7HMGCRTDP1ALDH1A1MAPT
SCHEMBL10404839 0.98 PTPN7 (0.67) PTPN7HMGCRTDP1ALDH1A1MAPT
SCHEMBL11045543 0.98 PTPN7 (0.67) PTPN7HMGCRTDP1ALDH1A1MAPT
SCHEMBL11328048 0.96 PTPN7 (0.64) PTPN7HMGCRTDP1ALDH1A1MAPT
SCHEMBL26624663 0.94 PTPN7 (0.68) PTPN7HMGCRTDP1ALDH1A1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0450742-B1 DTPA-Monoamids, pharmaceutical compositions containing them, their use and process for their preparation SCHERING AG (DE) 1994-07-06 EP claimed
EP-0214616-A2 Acetylenic prostaglandins G.D. Searle & Co. (US) 1987-03-18 EP claimed
US-20140199243-A1 BIFUNCTIONAL PHOSPHONATE CHELATING AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-07-17 US disclosed
US-20140199243-A1 BIFUNCTIONAL PHOSPHONATE CHELATING AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-07-17 US disclosed
WO-2014070092-A1 FUNCTIONALIZED CELLULOSE NANOCRYSTALS, A METHOD FOR THE PREPARATION THEREOF AND USE OF FUNCTIONALIZED CELLULOSE NANOCRYSTALS IN COMPOSITES AND FOR GRAFTING SWETREE TECHNOLOGIES AB (SE) 2014-05-08 WO disclosed
WO-2012172271-A1 BIFUNCTIONAL PHOSPHONATE CHELATING AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-12-20 WO disclosed
US-7446226-B2 Phenylhept-6-yne-acid-4-hydroxy-3-methoxylbenzylamide (phenylcapsaicin); use as microorganism repellent agents in paints and coatings, for marine installations and ships, but also for land-based structures; nontoxic AXIMED AS (NO) 2008-11-04 US disclosed
US-20070167524-A1 Capsaicin derivates and the production and use thereof AXICHEM AB (SE) 2007-07-19 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 (2 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-20070167524-A1 Capsaicin derivates and the production and use thereof TRPV1, TRPA1, TRPV2 PTPN7 1874/4885HMGCR 1657/4885TDP1 2585/4885
US-20140199243-A1 BIFUNCTIONAL PHOSPHONATE CHELATING AGENTS PHOSPHO1, ATIC, HLA-C PTPN7 863/4885HMGCR 4139/4885TDP1 3014/4885

“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.