SCHEMBL854283

SCHEMBL854283

CC(C)(C)CC(=O)NCCCO

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
KCNH2 Q12809 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NAAA Q02083 1/20 0.42
HPGD P15428 1/20 0.41
CNR1 P21554 2/20 0.40
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CASP2 P42575 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL1515376 0.86 HPGD (0.43) MEN1KMT2ANAAAHPGDCNR1
SCHEMBL23518488 0.86 MEN1 (0.52) TDP1MEN1KMT2ANAAAHPGD
SCHEMBL4782817 0.84 HPGD (0.47) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL19827537 0.83 PTGS1 (0.49) PTGS1KCNH2TDP1MEN1KMT2A
SCHEMBL4308618 0.83 CASP2 (0.50) MEN1KMT2ANAAAHPGDCNR1
SCHEMBL13374400 0.83 MEN1 (0.43) TDP1MEN1KMT2ANAAAHPGD
SCHEMBL3067084 0.82 DNM1 (0.54) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL20121987 0.81 CASP2 (0.59) MEN1KMT2ANAAAALDH1A1SMN1; SMN2
SCHEMBL20381018 0.81 MEN1 (0.41) MEN1KMT2ANAAAHPGDALDH1A1
SCHEMBL9035426 0.81 MEN1 (0.41) MEN1KMT2ANAAAHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4312968-A2 COMPOSITION FOR TOPICAL APPLICATION TO A SUBJECT G. Pohl-Boskamp GmbH & Co. KG (DE) 2024-02-07 EP disclosed
EP-3131642-A1 PATCH, SET OF PATCHES, METHOD AND USE FOR MEDICAL OR COSMETIC TREATMENT Grasl, Jürgen (AT) 2017-02-22 EP disclosed
WO-2015158841-A1 PATCH, SET OF PATCHES, METHOD AND USE FOR MEDICAL OR COSMETIC TREATMENT GRASL JÜRGEN (AT) 2015-10-22 WO disclosed
US-8952031-B2 Amino- and amido-aminotetralin derivatives and related compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-02-10 US disclosed
EP-2651514-A2 ACTIVE INGREDIENT COMBINATION AND HAIR PREPARATIONS HAVING A REPAIR EFFECT Henkel AG & Co. KGaA (DE) 2013-10-23 EP disclosed
EP-2648691-A2 ACTIVE INGREDIENT COMBINATION AND HAIR TREATMENT COMPOSITION Henkel AG & Co. KGaA (DE) 2013-10-16 EP disclosed
EP-2280933-B1 2 -AMINOTETRALIN DERIVATIVES AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2013-07-24 EP disclosed
US-20120165360-A1 AMINO- AND AMIDO-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-06-28 US disclosed
WO-2012084336-A2 HAIR TREATMENT PRODUCTS CONTAINING ONE OR MORE SURFACTANT(S) AND ONE OR MORE CATIONIC KERATIN HYDROLYSATE(S) HENKEL AG & CO. KGAA (DE) 2012-06-28 WO disclosed
WO-2012079873-A2 ACTIVE INGREDIENT COMBINATION AND HAIR PREPARATIONS HAVING A REPAIR EFFECT HENKEL AG & CO. KGAA (DE) 2012-06-21 WO disclosed
WO-2011009763-A2 COSMETIC CONTAINING PURINE AND/OR A PURINE DERIVATIVE AND SCLAREOL HENKEL AG & CO. KGAA (DE) 2011-01-27 WO disclosed
EP-2271309-A1 SHAMPOO WITH FRUIT JUICE AND/OR VEGETABLE JUICE Henkel AG & Co. KGaA (DE) 2011-01-12 EP disclosed
WO-2011000648-A2 HAIR-PROTECTIVE COSMETIC I HENKEL AG & CO. KGAA (DE) 2011-01-06 WO disclosed
WO-2011000649-A2 HAIR-PROTECTIVE COSMETIC II HENKEL AG & CO. KGAA (DE) 2011-01-06 WO disclosed
WO-2010086432-A2 COLOR-PRESERVING HAIR TREATMENT AGENTS HENKEL AG & CO. KGAA (DE) 2010-08-05 WO disclosed
WO-2010020516-A1 NON-SULFATE MILD SURFACTANT SYSTEM FOR SKIN AND HAIR CLEANING HENKEL AG & CO. KGAA (DE) 2010-02-25 WO disclosed
WO-2009135699-A1 SHAMPOO WITH FRUIT JUICE AND/OR VEGETABLE JUICE HENKEL AG & CO. KGAA (DE) 2009-11-12 WO disclosed
US-20090247627-A1 AMINO- AND AMIDO-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-10-01 US disclosed
WO-2009083283-A1 HAIR CLEANING PRODUCTS CONTAINING STRUCTURANTS HENKEL AG & CO. KGAA (DE) 2009-07-09 WO disclosed
WO-2009083284-A1 STABILIZATION OF HAIR CLEANING PRODUCTS HENKEL AG & CO. KGAA (DE) 2009-07-09 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 (2 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-20120165360-A1 AMINO- AND AMIDO-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRD1 PTGS1 443/4885KCNH2 1595/4885TDP1 4190/4885
US-20090247627-A1 AMINO- AND AMIDO-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRD1 PTGS1 443/4885KCNH2 1595/4885TDP1 4190/4885

“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.