SCHEMBL427001

SCHEMBL427001

CCC(CO)CCC(C)O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
TSHR P16473 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.37
TRPA1 O75762 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
SCHEMBL4890375 0.88 ALDH1A1 (0.43) ALDH1A1TSHRTDP1LMNATRPA1
SCHEMBL8371931 0.86 TSHR (0.53) ALDH1A1TSHRTDP1
SCHEMBL8371932 0.86 TSHR (0.53) ALDH1A1TSHRTDP1
SCHEMBL2380019 0.86 ALDH1A1 (0.68) ALDH1A1TSHRTDP1LMNATRPA1
SCHEMBL4881462 0.85 ALDH1A1 (0.50) ALDH1A1TSHRTDP1LMNATRPA1
SCHEMBL4440641 0.83 ALDH1A1 (0.60) ALDH1A1TSHRTDP1LMNATRPA1
SCHEMBL7705881 0.81 ALDH1A1 (0.56) ALDH1A1TSHRTDP1LMNATRPA1
SCHEMBL15354042 0.81 ALDH1A1 (0.56) ALDH1A1TSHRTDP1LMNATRPA1
Butanol SCHEMBL28477506 0.80 TSHR (0.62) ALDH1A1TSHRTDP1LMNATRPA1
SCHEMBL28070396 0.80 ALDH1A1 (0.50) ALDH1A1TSHRTDP1LMNATRPA1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836531-A Polyol-containing polyhydroxyalkanoate composition with high fluidity, molded body and preparation method thereof 北京蓝晶微生物科技有限公司 2023-10-03 CN claimed
US-20120020906-A1 ANTIPERSPIRANT SPRAYS WITH ESTER OILS HENKEL AG & CO. KGAA (DE) 2012-01-26 US claimed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN claimed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN claimed
WO-2023203904-A1 TWO-PACK TYPE CURABLE POLYURETHANE RESIN COMPOSITION 第一工業製薬株式会社 2023-10-26 WO disclosed
CN-116836531-A Polyol-containing polyhydroxyalkanoate composition with high fluidity, molded body and preparation method thereof 北京蓝晶微生物科技有限公司 2023-10-03 CN disclosed
WO-2023136064-A1 TWO-COMPONENT CURABLE POLYURETHANE RESIN COMPOSITION 第一工業製薬株式会社 2023-07-20 WO disclosed
CN-115697720-A Refined product 艾克洛股份公司 2023-02-03 CN disclosed
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
US-20170157025-A1 TEXTILE FRIENDLY ANTIPERSPIRANT COMPOSITIONS HENKEL AG & CO. KGAA (DE) 2017-06-08 US disclosed
US-8828367-B2 Water-free antiperspirant non-aerosols in which active substances are more readily released HENKEL AG & CO. KGAA (DE) 2014-09-09 US disclosed
US-8603445-B2 Water-free antiperspirant sprays in which active substances are more readily released HENKEL AG & CO. KGAA (DE) 2013-12-10 US disclosed
EP-2559718-A1 POLYCARBONATE DIOL, PROCESS FOR PRODUCING SAME, AND POLYURETHANE AND ACTINIC-ENERGY-RAY-CURABLE POLYMER COMPOSITION BOTH FORMED USING SAME Mitsubishi Chemical Corporation (JP) 2013-02-20 EP disclosed
US-20120177589-A1 WATER-FREE ANTIPERSPIRANT NON-AEROSOLS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO. KGAA (DE) 2012-07-12 US disclosed
US-20120171143-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO. KGAA (DE) 2012-07-05 US disclosed
US-20120020906-A1 ANTIPERSPIRANT SPRAYS WITH ESTER OILS HENKEL AG & CO. KGAA (DE) 2012-01-26 US disclosed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN disclosed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN 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 (4 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-20120020906-A1 ANTIPERSPIRANT SPRAYS WITH ESTER OILS CUTA, NAPEPLD, LIPE ALDH1A1 1032/4885TSHR 1473/4885TDP1 1145/4885
US-20120177589-A1 WATER-FREE ANTIPERSPIRANT NON-AEROSOLS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED SIGMAR1, POLR1C, CUTA ALDH1A1 2601/4885TSHR 1854/4885TDP1 481/4885
US-20170215470-A1 USE OF A COMPOSITION CONTAINING A LONG-CHAIN POLYOL AS A BASE FOR E-LIQUIDS ETV1, EBPL, SELE ALDH1A1 597/4885TSHR 4558/4885TDP1 671/4885
US-20120171143-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED POLR1C, CUTA, PHOSPHO1 ALDH1A1 1827/4885TSHR 1330/4885TDP1 582/4885

“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.