SCHEMBL231863

SCHEMBL231863

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.41
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 2/20 0.33
NAAA Q02083 3/20 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
SCHEMBL9798283 0.95 TSHR (0.44) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL29206140 0.86 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9797908 0.85 TSHR (0.40) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9798558 0.81 NAAA (0.32) NAAA
SCHEMBL233117 0.81 TSHR (0.35) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL21177794 0.81 ALOX5 (0.36) NAAA
SCHEMBL29893555 0.81 TSHR (0.49) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1355256 0.81 TSHR (0.60) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9798146 0.80 TSHR (0.40) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL229724 0.80 TSHR (0.45) TSHRALDH1A1CYP3A4THRBNAAA

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
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-11462768-B2 High-voltage stable copolymer for constituting a polymer electrolyte for a lithium or sodium cell ROBERT BOSCH GMBH (DE) 2022-10-04 US disclosed
US-20200203763-A1 HIGH-VOLTAGE STABLE COPOLYMER FOR CONSTITUTING A POLYMER ELECTROLYTE FOR A LITHIUM OR SODIUM CELL ROBERT BOSCH GMBH (DE) 2020-06-25 US disclosed
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-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 3067/4885CYP3A4 4296/4885

“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.