SCHEMBL10045745

SCHEMBL10045745

CCC(CCCC(C)C)CCOS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
RECQL P46063 1/20 0.34
CA2 P00918 2/20 0.33
TSHR P16473 2/20 0.32
BLM P54132 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL10045746 0.95 LMNA (0.39) TP53RECQLCA2BLMLMNA
SCHEMBL10045747 0.95 LMNA (0.39) TP53RECQLCA2BLMLMNA
Alcohol SCHEMBL316774 0.92 LMNA (0.37) TP53RECQLBLMALDH1A1LMNA
SCHEMBL11820965 0.83 TP53 (0.36) TP53RECQLCA2TSHR
SCHEMBL13959025 0.83 TP53 (0.46) TP53RECQLCA2TSHRBLM
SCHEMBL22106790 0.80 LMNA (0.48) BLMLMNACYP3A4
SCHEMBL16072481 0.80 LMNA (0.48) BLMLMNACYP3A4
SCHEMBL17792969 0.80 LMNA (0.48) BLMLMNACYP3A4
SCHEMBL8961105 0.80 RECQL (0.38) RECQLCA2TSHRALDH1A1LMNA
SCHEMBL4839742 0.79 FNTA (0.38) TP53CA2TSHRBLMALDH1A1

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 9 patents. 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
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-20120010423-A1 Specific Branched Aldehydes, Alcohols, Surfactants, and Consumer Products Based Thereon SCHEIBEL JEFFREY JOHN (US) 2012-01-12 US disclosed
US-20120010432-A1 Specific Branched Aldehydes, Alcohols, Surfactants, and Consumer Products Based Thereon SCHEIBEL JEFFREY JOHN (US) 2012-01-12 US disclosed
US-8044249-B2 Specific branched aldehydes, alcohols, surfactants, and consumer products based thereon THE PROCTER & GAMBLE COMPANY (US) 2011-10-25 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-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

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-20100137649-A1 Specific Branched Aldehydes, Alcohols, Surfactants, and Consumer Products Based Thereon ADH5, ADH1A, ADH1C TP53 3828/4885RECQL 4419/4885CA2 4743/4885
US-20100105958-A1 Specific Polybranched Polyaldehydes, Polyalcohols, and Surfactants, and Consumer Products Based Thereon ADH1C, ADH1A, ADH5 TP53 1631/4885RECQL 4317/4885CA2 3453/4885
US-20120010432-A1 Specific Branched Aldehydes, Alcohols, Surfactants, and Consumer Products Based Thereon ADH5, ADH1A, ADH1C TP53 3828/4885RECQL 4419/4885CA2 4743/4885
US-20120010423-A1 Specific Branched Aldehydes, Alcohols, Surfactants, and Consumer Products Based Thereon ADH5, ADH1A, ADH1C TP53 3828/4885RECQL 4419/4885CA2 4743/4885

“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.