SCHEMBL8534173

SCHEMBL8534173

CCC(CCO)CC(C)O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.32
TRPA1 O75762 1/20 0.31
LMNA P02545 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
SCHEMBL4892783 0.95 TSHR (0.39) TSHRTDP1ALDH1A1
SCHEMBL11316919 0.87 TSHR (0.50) TSHRTDP1ALDH1A1TRPA1
SCHEMBL4881462 0.83 ALDH1A1 (0.50) TSHRTDP1ALDH1A1TRPA1LMNA
SCHEMBL29099903 0.82 ALDH1A1 (0.37) TSHRALDH1A1THRBLMNA
SCHEMBL14384216 0.82 TSHR (0.45) TSHRTDP1ALDH1A1LMNA
SCHEMBL27465229 0.82 ALDH1A1 (0.37) TSHRALDH1A1TRPA1
Methylamine SCHEMBL11723718 0.82 TDP1 (0.38) TSHRTDP1ALDH1A1THRB
SCHEMBL19003067 0.82 TSHR (0.45) TSHRTDP1ALDH1A1LMNA
SCHEMBL95766 0.81 ALDH1A1 (0.40) ALDH1A1THRBTRPA1
SCHEMBL6387999 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110662733-A Method of producing a composite material 埃维科生物技术有限公司 2020-01-07 CN disclosed
EP-3166424-B1 USE OF A COMPOSITION CONTAINING A LONG-CHAIN POLYOL AS A BASE FOR E-LIQUIDS LABORATOIRES CERES (FR) 2019-11-13 EP disclosed
US-20170215470-A1 USE OF A COMPOSITION CONTAINING A LONG-CHAIN POLYOL AS A BASE FOR E-LIQUIDS LABORATOIRES CERES (FR) 2017-08-03 US disclosed
CN-1436890-A Concentrated & stable fabric softening composition containing chelant PROCTER & GAMBLE (US) 2003-08-20 CN disclosed
CN-1107716-C Concentrated stable fabric softening compositions comprising chelants PROCTER & GAMBLE (US) 2003-05-07 CN 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
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-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-20170215470-A1 USE OF A COMPOSITION CONTAINING A LONG-CHAIN POLYOL AS A BASE FOR E-LIQUIDS ETV1, EBPL, SELE TSHR 4558/4885TDP1 671/4885ALDH1A1 597/4885

“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.