SCHEMBL229724

SCHEMBL229724

C=C(C)C(=O)OCCCCC1COC(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
THRB P10828 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
NAAA Q02083 3/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL10064383 0.96 ALDH1A1 (0.45) TSHRALDH1A1POLBAPEX1HTT
SCHEMBL9418075 0.90 ALDH1A1 (0.47) TSHRALDH1A1POLBAPEX1HTT
SCHEMBL16169943 0.85 ALDH1A1 (0.31) ALDH1A1HTT
SCHEMBL6246777 0.84 ALDH1A1 (0.40) TSHRALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL231291 0.81 ALDH1A1 (0.63) TSHRALDH1A1THRBCYP3A4CYP2D6
SCHEMBL1357079 0.81 ALDH1A1 (0.62) TSHRALDH1A1POLBAPEX1HTT
SCHEMBL9798558 0.80 NAAA (0.32) HTTNAAA
SCHEMBL6247723 0.80 ALDH1A1 (0.50) TSHRALDH1A1POLBAPEX1HTT
SCHEMBL6663770 0.80 ALDH1A1 (0.60) TSHRALDH1A1POLBAPEX1HTT
SCHEMBL353873 0.80 ALDH1A1 (0.60) TSHRALDH1A1POLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324145-B2 Anti-grey detergent comprising a cyclic carbonate or urea HENKEL AG & CO. KGAA (DE) 2012-12-04 US claimed
US-8318649-B2 Cleaning agents comprising a cyclic carbonate Henkel, AG & Co. KGAA (DE) 2012-11-27 US claimed
EP-1692126-B1 REACTIVE CYCLIC CARBONATES AND UREAS USED FOR MODIFYING BIOMOLECULES, POLYMERS, AND SURFACES HENKEL AG & CO KGAA (DE) 2012-11-07 EP claimed
EP-2129763-B1 PRODUCT FOR TREATING HARD SURFACES HENKEL AG & CO KGAA (DE) 2012-08-08 EP claimed
US-20120006358-A1 CLEANING AGENTS HENKEL AG & CO. KGAA (DE) 2012-01-12 US claimed
US-20120004155-A1 ANTI-GREY DETERGENT HENKEL AG & CO. KGAA (DE) 2012-01-05 US claimed
US-20100041574-A1 PRODUCT FOR TREATING HARD SURFACES HENKEL AG & CO. KGAA (DE) 2010-02-18 US claimed
US-20070092656-A1 Reactive cyclic carbonates and ureas used for modifying biomolecules, polymers, and surfaces DEUTSCHES WOLLFORSCHUNGSINSTITUT AN DER RWTH AACHEN E.V. (DE) 2007-04-26 US claimed
US-8524648-B2 Color-protecting detergents or cleaning agents HENKEL AG & CO. KGAA (DE) 2013-09-03 US disclosed
US-8324145-B2 Anti-grey detergent comprising a cyclic carbonate or urea HENKEL AG & CO. KGAA (DE) 2012-12-04 US disclosed
US-8318649-B2 Cleaning agents comprising a cyclic carbonate Henkel, AG & Co. KGAA (DE) 2012-11-27 US disclosed
US-8202372-B2 Product for treating hard surfaces HENKEL AG & CO. KGAA (DE) 2012-06-19 US disclosed
US-20120006358-A1 CLEANING AGENTS HENKEL AG & CO. KGAA (DE) 2012-01-12 US disclosed
US-20120004155-A1 ANTI-GREY DETERGENT HENKEL AG & CO. KGAA (DE) 2012-01-05 US disclosed
US-20100022428-A1 ANTI-GREY DETERGENT HENKEL AG & CO. KGAA (DE) 2010-01-28 US disclosed
US-20100022427-A1 PRODUCT FOR TREATING HARD SURFACES HENKEL AG & CO. KGAA (DE) 2010-01-28 US disclosed
US-20100011513-A1 DETERGENT CONTAINING SOIL-RELEASING SUBSTANCES HENKEL AG & CO. KGAA (DE) 2010-01-21 US disclosed
US-20100016206-A1 DETERGENT HAVING AN ACTIVE INGREDIENT THAT IMPROVES THE PRIMARY DETERGENCY HENKEL AG & CO., KGAA (DE) 2010-01-21 US disclosed
US-20100011519-A1 COLOR-PROTECTING DETERGENTS OR CLEANING AGENTS HENKEL AG & CO. KGAA (DE) 2010-01-21 US disclosed
US-20100016203-A1 CLEANING AGENTS HENKEL AG & CO., KGAA (DE) 2010-01-21 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 (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-20120006358-A1 CLEANING AGENTS PUF60, PCNA, PKD1 TSHR 4646/4885ALDH1A1 3067/4885POLB 129/4885

“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.