SCHEMBL1507699

SCHEMBL1507699

OCCC(CO)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.48
GABBR2 O75899 2/20 0.41
GABBR1 Q9UBS5 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HRH1 P35367 2/20 0.39
LMNA P02545 1/20 0.38
GSR P00390 1/20 0.37
HTR2A P28223 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RIPK1 Q13546 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL1546696 1.00 TRPA1 (0.48) TRPA1GABBR2GABBR1SMN1; SMN2CYP2D6
SCHEMBL8274952 1.00 TRPA1 (0.48) TRPA1GABBR2GABBR1SMN1; SMN2CYP2D6
SCHEMBL1308070 0.90 TRPA1 (0.52) TRPA1GABBR2GABBR1SMN1; SMN2CYP2D6
SCHEMBL27562290 0.87 RIPK1 (0.44) TRPA1LMNAKDM4EL3MBTL1RIPK1
SCHEMBL28830488 0.86 TRPA1 (0.41) TRPA1GABBR2GABBR1SMN1; SMN2CYP2D6
SCHEMBL28830491 0.86 TRPA1 (0.41) TRPA1GABBR2GABBR1SMN1; SMN2CYP2D6
SCHEMBL148756 0.85 TRPA1 (0.48) TRPA1GABBR2GABBR1SMN1; SMN2CYP2D6
SCHEMBL27635281 0.85 TRPA1 (0.40) TRPA1GABBR2GABBR1SMN1; SMN2CYP2D6
SCHEMBL7899168 0.82 HRH1 (0.58) TRPA1GABBR2GABBR1SMN1; SMN2CYP2D6
SCHEMBL19094051 0.82 TRPA1 (0.46) TRPA1GABBR2GABBR1SMN1; SMN2CYP2D6

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 176 patents — showing the first 20. 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
US-20020160926-A1 Concentrated, stable, preferably clear, fabric softening composition TRINH TOAN (US) 2002-10-31 US claimed
US-6369025-B1 USEFUL FOR SOFTENING CLOTH THE PROCTER & GAMBLE COMPANY 2002-04-09 US claimed
US-6323172-B1 AQUEOUS COMPOSITION COMPRISING FABRIC SOFTENER, SELECTED PRINCIPAL SOLVENT, LOW MOLECULAR WEIGHT WATER SOLUBLE SOLVENT TO IMPROVE CLARITY, WATER SOLUBLE CALCIUM AND/OR MAGNESIUM SALT THE PROCTER & GAMBLE COMPANY 2001-11-27 US claimed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN claimed
EP-0888424-A1 FABRIC SOFTENING COMPOUND/COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1999-01-07 EP 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
EP-0842250-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP claimed
EP-0839179-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-05-06 EP claimed
US-5747443-A BIODEGRADABLE QUATERNARY AMMONIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-05-05 US claimed
WO-1998017756-A1 CONCENTRATED FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-04-30 WO claimed
WO-1997034972-A1 FABRIC SOFTENING COMPOUND/COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-09-25 WO claimed
WO-1997003170-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO claimed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO claimed
US-12624265-B2 Antistatic agent, antistatic composition comprising same, antistatic resin composition comprising same, and molded article thereof ADEKA CORPORATION (JP) 2026-05-12 US disclosed
US-3994851-A AMINE-ALDEHYDE CROSSLINKING AGENT PPG INDUSTRIES, INC. (US) 1976-11-30 US disclosed
US-3933940-A Mercaptan blocked thermosetting copolymers PPG INDUSTRIES, INC. (US) 1976-01-20 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-12624265-B2 Antistatic agent, antistatic composition comprising same, antistatic resin composition comprising same, and molded article thereof SORD, SUCLA2, SUCLG1 TRPA1 3272/4885GABBR2 271/4885GABBR1 259/4885

“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.