SCHEMBL321305

SCHEMBL321305

C=CC(=CCC=C(C)C)CC

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 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
SCHEMBL321304 1.00 TSHR (0.37) TSHRALDH1A1ALOX15
SCHEMBL30640713 0.80
SCHEMBL2573442 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL675003 0.74
SCHEMBL3639789 0.74
SCHEMBL18536324 0.74
SCHEMBL1305942 0.72
Ocimene SCHEMBL23589 0.72 TSHR (0.41) TSHRALDH1A1ALOX15
Ocimene SCHEMBL83330 0.72 TSHR (0.41) TSHRALDH1A1ALOX15
Ocimene SCHEMBL15011309 0.72 TSHR (0.41) TSHRALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969020-B1 SPECIFIC UNSATURATED AND BRANCHED FUNCTIONAL MATERIALS FOR USE IN CONSUMER PRODUCTS PROCTER & GAMBLE (US) 2017-11-29 EP disclosed
US-9663440-B2 Cross metathesis of poly-branched poly-olefins MATERIA, INC. (US) 2017-05-30 US disclosed
US-20160107980-A1 CROSS METATHESIS OF POLY-BRANCHED POLY-OLEFINS MATERIA, INC. 2016-04-21 US disclosed
EP-2969020-A1 SPECIFIC UNSATURATED AND BRANCHED FUNCTIONAL MATERIALS FOR USE IN CONSUMER PRODUCTS The Procter & Gamble Company (US) 2016-01-20 EP disclosed
WO-2014169055-A9 CROSS METATHESIS OF POLY-BRANCHED POLY-OLEFINS MATERIA, INC. (US) 2015-09-24 WO disclosed
WO-2014169055-A1 CROSS METATHESIS OF POLY-BRANCHED POLY-OLEFINS MATERIA, INC. (US) 2014-10-16 WO disclosed
WO-2014150171-A1 SPECIFIC UNSATURATED AND BRANCHED FUNCTIONAL MATERIALS FOR USE IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2014-09-25 WO 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-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-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-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-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 TSHR 3864/4885ALDH1A1 127/4885ALOX15 142/4885
US-20160107980-A1 CROSS METATHESIS OF POLY-BRANCHED POLY-OLEFINS COASY, SQLE, FDFT1 TSHR 4823/4885ALDH1A1 2261/4885ALOX15 56/4885
US-20100105958-A1 Specific Polybranched Polyaldehydes, Polyalcohols, and Surfactants, and Consumer Products Based Thereon ADH1C, ADH1A, ADH5 TSHR 4046/4885ALDH1A1 16/4885ALOX15 417/4885
US-20120010432-A1 Specific Branched Aldehydes, Alcohols, Surfactants, and Consumer Products Based Thereon ADH5, ADH1A, ADH1C TSHR 3864/4885ALDH1A1 127/4885ALOX15 142/4885

“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.