SCHEMBL10045733

SCHEMBL10045733

CCCCCC(C)CCCC(CC)CC=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.42
TSHR P16473 5/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
OPRM1 P35372 1/20 0.34
CA2 P00918 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TRPA1 O75762 1/20 0.34
DDAH1 O94760 1/20 0.34
GAPDH P04406 1/20 0.34
MAPT P10636 1/20 0.34
CA1 P00915 2/20 0.33

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
SCHEMBL444299 0.90 TSHR (0.46) TSHRALDH1A1CYP3A4ADH1BADH1C
SCHEMBL9262127 0.88 LMNA (0.46) TSHRALDH1A1CYP3A4ADH1BADH1C
SCHEMBL28683258 0.88 LMNA (0.46) TSHRALDH1A1CYP3A4ADH1BADH1C
SCHEMBL8396490 0.88 LMNA (0.46) TSHRALDH1A1CYP3A4ADH1BADH1C
SCHEMBL8351983 0.88 LMNA (0.46) TSHRALDH1A1CYP3A4ADH1BADH1C
SCHEMBL30646658 0.88 LMNA (0.46) TSHRALDH1A1CYP3A4ADH1BADH1C
SCHEMBL315750 0.87 LMNA (0.48) TSHRALDH1A1CYP3A4LMNA
SCHEMBL11761561 0.86 ALDH1A1 (0.34) TSHRALDH1A1CYP3A4LMNATDP1
SCHEMBL6861921 0.85 ADH1B (0.39) ACE2TSHRALDH1A1CYP3A4ADH1B
SCHEMBL78112 0.84 TSHR (0.54) TSHRALDH1A1CYP3A4TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328856-B1 SPECIFIC POLYBRANCHED ALDEHYDES, ALCOHOLS SURFACTANTS AND CONSUMER PRODUCTS BASED THEREON PROCTER & GAMBLE (US) 2017-03-08 EP disclosed
EP-2650280-A1 Specific polybranched surfactants and consumer products based thereon The Procter & Gamble Company (US) 2013-10-16 EP disclosed
EP-2650275-A1 Specific polybranched alcohols and consumer products based thereon The Procter & Gamble Company (US) 2013-10-16 EP disclosed
US-8299308-B2 Specific branched aldehydes, alcohols, surfactants, and consumer products based thereon THE PROCTER & GAMBLE COMPANY (US) 2012-10-30 US disclosed
US-8299308-B2 Specific branched aldehydes, alcohols, surfactants, and consumer products based thereon THE PROCTER & GAMBLE COMPANY (US) 2012-10-30 US disclosed
US-8232432-B2 Specific branched aldehydes, alcohols, surfactants, and consumer products based thereon THE PROCTER & GAMBLE COMPANY (US) 2012-07-31 US disclosed
US-8232431-B2 Specific branched surfactants and consumer products THE PROCTER & GAMBLE COMPANY (US) 2012-07-31 US disclosed
US-8232431-B2 Specific branched surfactants and consumer products THE PROCTER & GAMBLE COMPANY (US) 2012-07-31 US disclosed
US-8232432-B2 Specific branched aldehydes, alcohols, surfactants, and consumer products based thereon THE PROCTER & GAMBLE COMPANY (US) 2012-07-31 US disclosed
US-20120010423-A1 Specific Branched Aldehydes, Alcohols, Surfactants, and Consumer Products Based Thereon SCHEIBEL JEFFREY JOHN (US) 2012-01-12 US disclosed
US-7994369-B2 Specific polybranched polyaldehydes, polyalcohols, and surfactants, and consumer products based thereon THE PROCTER & GAMBLE COMPANY (US) 2011-08-09 US disclosed
US-7994369-B2 Specific polybranched polyaldehydes, polyalcohols, and surfactants, and consumer products based thereon THE PROCTER & GAMBLE COMPANY (US) 2011-08-09 US disclosed
US-20110034363-A1 Specific Branched Surfactants and Consumer Products THE PROCTER & GAMBLE COMPANY 2011-02-10 US disclosed
US-20110034363-A1 Specific Branched Surfactants and Consumer Products THE PROCTER & GAMBLE COMPANY 2011-02-10 US disclosed
US-20100137649-A1 Specific Branched Aldehydes, Alcohols, Surfactants, and Consumer Products Based Thereon THE PROCTER & GAMBLE COMPANY 2010-06-03 US disclosed
US-20100137649-A1 Specific Branched Aldehydes, Alcohols, Surfactants, and Consumer Products Based Thereon THE PROCTER & GAMBLE COMPANY 2010-06-03 US disclosed
US-20100105958-A1 Specific Polybranched Polyaldehydes, Polyalcohols, and Surfactants, and Consumer Products Based Thereon THE PROCTER & GAMBLE COMPANY 2010-04-29 US disclosed
US-20100105958-A1 Specific Polybranched Polyaldehydes, Polyalcohols, and Surfactants, and Consumer Products Based Thereon THE PROCTER & GAMBLE COMPANY 2010-04-29 US disclosed
WO-2010033976-A2 SPECIFIC BRANCHED ALDEHYDES, ALCOHOLS, SURFACTANTS AND CONSUMER PRODUCTS BASED THEREON THE PROCTER & GAMBLE COMPANY (US) 2010-03-25 WO disclosed
WO-2010033979-A2 SPECIFIC POLYBRANCHED POLYALDEHYDES, POLYALCOHOLS, AND SURFACTANTS AND CONSUMER PRODUCTS BASED THEREON THE PROCTER & GAMBLE COMPANY (US) 2010-03-25 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 (3 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-20100137649-A1 Specific Branched Aldehydes, Alcohols, Surfactants, and Consumer Products Based Thereon ADH5, ADH1A, ADH1C ACE2 4147/4885TSHR 3864/4885ALDH1A1 127/4885
US-20100105958-A1 Specific Polybranched Polyaldehydes, Polyalcohols, and Surfactants, and Consumer Products Based Thereon ADH1C, ADH1A, ADH5 ACE2 4178/4885TSHR 4046/4885ALDH1A1 16/4885
US-20120010423-A1 Specific Branched Aldehydes, Alcohols, Surfactants, and Consumer Products Based Thereon ADH5, ADH1A, ADH1C ACE2 4147/4885TSHR 3864/4885ALDH1A1 127/4885

“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.