SCHEMBL10034798

SCHEMBL10034798

CCCOCCOCCOCCOCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
CA12 O43570 4/20 0.45
CA9 Q16790 4/20 0.45
CA1 P00915 3/20 0.45
GAA P10253 1/20 0.41
STAT3 P40763 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CA2 P00918 3/20 0.38
CA7 P43166 2/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
VDR P11473 1/20 0.38
TLR9 Q9NR96 1/20 0.37

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
SCHEMBL13449850 1.00 ALDH1A1 (0.47) ALDH1A1CA12CA9CA1GAA
SCHEMBL19999152 1.00 ALDH1A1 (0.47) ALDH1A1CA12CA9CA1GAA
SCHEMBL3896363 1.00 ALDH1A1 (0.47) ALDH1A1CA12CA9CA1GAA
SCHEMBL2558543 1.00 ALDH1A1 (0.47) ALDH1A1CA12CA9CA1GAA
SCHEMBL12595176 1.00 ALDH1A1 (0.47) ALDH1A1CA12CA9CA1GAA
SCHEMBL15307981 1.00 ALDH1A1 (0.47) ALDH1A1CA12CA9CA1GAA
SCHEMBL26815263 0.95 ALDH1A1 (0.44) ALDH1A1CA12CA9CA1GAA
SCHEMBL14706736 0.94 ALDH1A1 (0.43) ALDH1A1CA12CA9CA1GAA
SCHEMBL1145153 0.93 ALDH1A1 (0.53) ALDH1A1CA12CA9CA1GAA
SCHEMBL478342 0.93 ALDH1A1 (0.53) ALDH1A1CA12CA9CA1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-12-14 US disclosed
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-20230346955-A1 COMPOUNDS FOR DEGRADING TAU PROTEIN AGGREGATES AND USES THEREOF APRINOIA THERAPEUTICS LIMITED (CN) 2023-11-02 US disclosed
US-11723980-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-08-15 US disclosed
US-11642413-B2 Compounds for degrading Tau protein aggregates and uses thereof APRINOIA THERAPEUTICS LIMITED (CN) 2023-05-09 US disclosed
US-9617222-B1 Alkynyl indazole derivative and use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2017-04-11 US disclosed
US-20170096400-A1 ALKYNYL INDAZOLE DERIVATIVE AND USE THEREOF SENJU PHARMACEUTICAL CO., LTD. (JP) 2017-04-06 US disclosed
US-8822520-B2 Substituted bicyclic HCV inhibitors PRESIDIO PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-20130178507-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2013-07-11 US disclosed
US-20120232169-A1 HIGHLY MONODISPERSE BRANCHED PEG-LIPID CONJUGATES BIOZONE PHARMACEUTICALS, INC. (US) 2012-09-13 US disclosed
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-02 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 (9 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-20130178507-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS HAVCR2, LIPC, EIF2AK2 ALDH1A1 1503/4885CA12 4354/4885CA9 4490/4885
US-11723980-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885CA12 4583/4885CA9 3970/4885
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS HAVCR2, LIPC, EIF2AK2 ALDH1A1 1503/4885CA12 4354/4885CA9 4490/4885
US-20120232169-A1 HIGHLY MONODISPERSE BRANCHED PEG-LIPID CONJUGATES LIPA, CETP, DGAT2 ALDH1A1 2451/4885CA12 2560/4885CA9 2545/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885CA12 4583/4885CA9 3970/4885
US-20230346955-A1 COMPOUNDS FOR DEGRADING TAU PROTEIN AGGREGATES AND USES THEREOF MAPT, PRNP, APP ALDH1A1 1759/4885CA12 4092/4885CA9 4181/4885
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885CA12 4583/4885CA9 3970/4885
US-20170096400-A1 ALKYNYL INDAZOLE DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 ALDH1A1 551/4885CA12 4108/4885CA9 1847/4885
US-11642413-B2 Compounds for degrading Tau protein aggregates and uses thereof MAPT, PRNP, APP ALDH1A1 1759/4885CA12 4092/4885CA9 4181/4885

“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.