SCHEMBL6861479

SCHEMBL6861479

OCC(CO)OC1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
KDM4E B2RXH2 1/20 0.33
EPHX1 P07099 2/20 0.32
NPC1 O15118 1/20 0.31
CYP2C19 P33261 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL20643683 1.00 CA1 (0.33) CA1CA2CA12CA9KDM4E
SCHEMBL538848 0.82
SCHEMBL28404278 0.82
SCHEMBL29049092 0.79 ALDH1A1 (0.38) EPHX1CYP2C19
SCHEMBL529784 0.78 KDM4E (0.37) CA1CA2CA12CA9KDM4E
SCHEMBL20526368 0.77 CA12 (0.31) CA1CA2CA12CA9KDM4E
SCHEMBL5759128 0.76 EPHX1 (0.34) CA1CA2CA12CA9KDM4E
SCHEMBL21402608 0.76 CYP19A1 (0.31)
SCHEMBL18832765 0.75 SHBG (0.42) CA1CA2KDM4EEPHX1NPC1
SCHEMBL21574797 0.75 KDM4E (0.34) CA1CA2CA12CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686331-B2 PRINCIPAL SOLVENTS, ESPECIALLY MONO AND DIOL PRINCIPAL SOLVENTS, HAVING A SPECIFIED CLOGP VALUE, SPECIFIED TYPES OF SOFTENERS SUCH AS VARISOFT?, WATER AND OPTIONAL ADDITIVES; PREMIX THE PROCTER & GAMBLE COMPANY 2004-02-03 US claimed
US-20030153483-A1 Concentrated, stable fabric softening composition TRINH TOAN (US) 2003-08-14 US claimed
CN-1110541-C Concentrated water-dispersible stable fiber softener compositions PROCTER & GAMBLE (US) 2003-06-04 CN claimed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN claimed
CN-1196081-A Concentrated, water dispersible, stable, fabric softening compositions PROCTER & GAMBLE (US) 1998-10-14 CN claimed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN claimed
CN-110225739-B Wrinkle-improving agent 宝丽化成工业有限公司 2022-03-15 CN disclosed
US-10813859-B2 Wrinkle ameliorating agent POLA CHEMICAL INDUSTRIES, INC. (JP) 2020-10-27 US disclosed
EP-3545942-A1 WRINKLE AMELIORATING AGENT Pola Chemical Industries Inc. (JP) 2019-10-02 EP disclosed
US-6335315-B1 Concentrated fabric softening composition THE PROCTER & GAMBLE COMPANY 2002-01-01 US disclosed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN disclosed
CN-1196082-A Concentrated stable fabric softening compositions comprising chelants PROCTER & GAMBLE (US) 1998-10-14 CN disclosed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN disclosed
EP-0842250-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP disclosed
US-5747443-A BIODEGRADABLE QUATERNARY AMMONIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-05-05 US disclosed
WO-1998017750-A1 CONCENTRATED, FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-04-30 WO disclosed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO 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-10813859-B2 Wrinkle ameliorating agent COL2A1, COL1A1, COL14A1 CA1 4834/4885CA2 4081/4885CA12 4734/4885

“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.