SCHEMBL5137741

SCHEMBL5137741

CCCCC(CC)C(O)(O)I

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.45
ALDH1A1 P00352 3/20 0.41
CA2 P00918 8/20 0.38
MAPK1 P28482 1/20 0.38
CA1 P00915 4/20 0.37
TDP1 Q9NUW8 1/20 0.36
DNM1 Q05193 2/20 0.35
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL28367268 0.82 FDPS (0.47) FDPSALDH1A1CA2MAPK1CA1
SCHEMBL10242782 0.80 FDPS (0.45) FDPSALDH1A1CA2MAPK1CA1
SCHEMBL27281668 0.78 FDPS (0.35) FDPSALDH1A1CA2MAPK1CA1
SCHEMBL17559999 0.78 FDPS (0.44) FDPSALDH1A1CA2MAPK1CA1
SCHEMBL5483323 0.78 FDPS (0.44) FDPSALDH1A1CA2MAPK1CA1
SCHEMBL27907659 0.76 FDPS (0.42) FDPSALDH1A1CA2MAPK1CA1
SCHEMBL28653083 0.76 FDPS (0.42) FDPSALDH1A1CA2MAPK1CA1
Hydrochloric Acid SCHEMBL29015267 0.76 FDPS (0.42) FDPSALDH1A1CA2MAPK1CA1
SCHEMBL11496837 0.76 CA2 (0.42) FDPSALDH1A1CA2MAPK1CA1
SCHEMBL16970187 0.75 FDPS (0.36) FDPSALDH1A1CA2MAPK1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841603-A2 TIRE COMPOSITIONS AND VULCANIZATES THEREOF HAVING IMPROVED SILICA REINFORCEMENT Bridgestone Corporation (JP) 2007-10-10 EP claimed
WO-2006076670-A2 TIRE COMPOSITIONS AND VULCANIZATES THEREOF HAVING IMPROVED SILICA REINFORCEMENT BRIDGESTONE CORPORATION (JP) 2006-07-20 WO claimed
EP-3830163-B1 COATING COMPOSITION COMPRISING POLYSILOXANE-MODIFIED POLYURETHANE FOR SOFT-FEEL, STAIN RESISTANT COATINGS AKZO NOBEL COATINGS INT BV (NL) 2024-02-14 EP disclosed
EP-3418354-B1 FABRIC SOFTENER ACTIVE COMPOSITIONS KAO CORP SA (ES) 2020-06-03 EP disclosed
EP-3418355-B1 FABRIC SOFTENER ACTIVE COMPOSITIONS KAO CORP SA (ES) 2020-06-03 EP disclosed
US-10570354-B2 Fabric softener active compositions KAO CORPORATION S.A. (ES) 2020-02-25 US disclosed
EP-2004194-A2 AZOXYSTROBIN FORMULATIONS Syngeta Participations AG (CH) 2008-12-24 EP disclosed
WO-2007118001-A2 AZOXYSTROBIN FORMULATIONS SYNGENTA PARTICIPATIONS AG (CH) 2007-10-18 WO disclosed
EP-1841603-A2 TIRE COMPOSITIONS AND VULCANIZATES THEREOF HAVING IMPROVED SILICA REINFORCEMENT Bridgestone Corporation (JP) 2007-10-10 EP disclosed
WO-2006076670-A2 TIRE COMPOSITIONS AND VULCANIZATES THEREOF HAVING IMPROVED SILICA REINFORCEMENT BRIDGESTONE CORPORATION (JP) 2006-07-20 WO disclosed
US-20040220112-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith ADOLOR CORPORATION 2004-11-04 US disclosed
EP-0590033-A1 POLYESTER-BASED COATING COMPOSITIONS HAVING HIGH PIGMENT-TO-BINDER RATIOS EXXON CHEMICAL PATENTS INC. (US) 1994-04-06 EP disclosed
EP-0229367-B1 2-CYANOACRYLATE COMPOSITION Kabushiki Kaisha Alpha Giken (JP) 1990-03-28 EP 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-10570354-B2 Fabric softener active compositions FASN, ELOVL5, ELOVL1 FDPS 2273/4885ALDH1A1 1064/4885CA2 3733/4885
US-20040220112-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith OPRK1, OPRD1, OPRM1 FDPS 4632/4885ALDH1A1 3340/4885CA2 2255/4885

“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.