SCHEMBL1648168

SCHEMBL1648168

O=C(S)CSCCC(=O)OC(=O)CCSCC(=O)S

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1648192 0.79 CYP2D6 (0.50) ALDH1A1HSD17B10LMNAKMT2ATDP1
SCHEMBL3077789 0.71
SCHEMBL4168577 0.69 ALDH1A1 (0.48) ALDH1A1
SCHEMBL1421666 0.67 ALDH1A1 (0.43) ALDH1A1HSD17B10LMNAKMT2ATDP1
SCHEMBL28043473 0.65 ALDH1A1 (0.43) ALDH1A1
SCHEMBL8104848 0.65 ALDH1A1 (0.50) ALDH1A1TDP1
SCHEMBL1845437 0.65 TSHR (0.55) ALDH1A1HSD17B10LMNAKMT2ATDP1
SCHEMBL8761436 0.65 TSHR (0.34) HSD17B10
SCHEMBL2898744 0.64 DGKA (0.53) ALDH1A1HSD17B10LMNAKMT2ATDP1
SCHEMBL29435917 0.64 DGKA (0.53) ALDH1A1HSD17B10LMNAKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8491929-B2 Bioadhesive polymers VAUNNEX INC. (US) 2013-07-23 US disclosed
US-20110086095-A1 Bioadhesive Polymers Spherics, Inc (MA) 2011-04-14 US disclosed
US-20100316712-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF PARKINSON'S DISEASE AND RELATED DISORDERS COMBINATORX, INCORPORATED (US) 2010-12-16 US disclosed
EP-2063867-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF PARKINSON'S DISEASE AND RELATED DISORDERS Combinatorx, Incorporated (US) 2009-06-03 EP disclosed
US-20080299204-A1 Dosage forms for movement disorder treatment SPHERICS, INC. (US) 2008-12-04 US disclosed
WO-2008079404-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF PARKINSON'S DISEASE AND RELATED DISORDERS COMBINATORX, INCORPORATED (US) 2008-07-03 WO disclosed
US-20080131492-A1 Dosage forms for movement disorder treatment SPHERICS, INC. (US) 2008-06-05 US disclosed
EP-1901720-A2 IMPROVED DOSAGE FORMS FOR MOVEMENT DISORDER TREATMENT Spherics, Inc. (US) 2008-03-26 EP disclosed
WO-2008002471-A2 EROSION-STABILIZED BIOADHESIVE POLYMERS FUNCTIONALIZED OR BLENDED WITH CATECHOL AND DERIVATIVES THEREOF SPHERICS, INC. (US) 2008-01-03 WO disclosed
US-20070148238-A1 Dosage forms for movement disorder treatment SPHERICS, INC. (US) 2007-06-28 US disclosed
WO-2007002318-A2 BIOADHESIVE POLYMERS SPHERICS, INC. (US) 2007-01-04 WO disclosed
WO-2007002516-A2 IMPROVED DOSAGE FORMS FOR MOVEMENT DISORDER TREATMENT SPHERICS, INC. (US) 2007-01-04 WO disclosed
US-20070003621-A1 Dosage forms for movement disorder treatment SPHERICS, INC. (US) 2007-01-04 US disclosed
US-4471789-A Aliphatic branched olefin dioxolanes, dithiolanes, and oxathiolanes and uses thereof in augmenting or enhancing the aroma and/or taste of consumable materials INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-09-18 US disclosed
US-4390462-A Aliphatic branched olefin dioxolanes, dithiolanes, and oxathiolanes and uses thereof in augmenting or enhancing the aroma and/or taste of consumable materials INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1983-06-28 US disclosed
US-4381243-A Aliphatic branched olefin dioxolanes, dithiolanes, and oxathiolanes and uses thereof in augmenting or enhancing the aroma and/or taste of consumable materials INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1983-04-26 US disclosed
US-4379754-A Aliphatic branched olefin dioxolanes, dithiolanes, and oxathiolanes and uses thereof in augmenting or enhancing the aroma and/or taste of consumable materials INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1983-04-12 US disclosed
US-4374998-A PERFUMES, TASTES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1983-02-22 US disclosed
US-4315952-A Flavoring with dioxolanes INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-02-16 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 (6 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-20110086095-A1 Bioadhesive Polymers CD44, EPCAM, ABCG2 ALDH1A1 161/4885HSD17B10 1542/4885LMNA 1723/4885
US-20100316712-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF PARKINSON'S DISEASE AND RELATED DISORDERS PARK7, SNCA, COMT ALDH1A1 397/4885HSD17B10 2155/4885LMNA 3192/4885
US-20070148238-A1 Dosage forms for movement disorder treatment PARK7, SNCA, HTT ALDH1A1 673/4885HSD17B10 605/4885LMNA 4133/4885
US-20080131492-A1 Dosage forms for movement disorder treatment PARK7, SNCA, HTT ALDH1A1 673/4885HSD17B10 605/4885LMNA 4133/4885
US-20070003621-A1 Dosage forms for movement disorder treatment PARK7, SNCA, HTT ALDH1A1 673/4885HSD17B10 605/4885LMNA 4133/4885
US-20080299204-A1 Dosage forms for movement disorder treatment PARK7, SNCA, HTT ALDH1A1 673/4885HSD17B10 605/4885LMNA 4133/4885

“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.