SCHEMBL9944591

SCHEMBL9944591

CC(C)(C)C1=CCOC1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ATM Q13315 2/20 0.39
MCL1 Q07820 1/20 0.39
CES2 O00748 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
CES1 P23141 1/20 0.35
MPI P34949 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 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
SCHEMBL14361724 0.77 ALDH1A1 (0.36) MAPTALDH1A1ATMMCL1
SCHEMBL9968964 0.77 ALDH1A1 (0.36) MAPTALDH1A1ATMMCL1
SCHEMBL14361721 0.77 ALDH1A1 (0.36) MAPTALDH1A1ATMMCL1
SCHEMBL2379059 0.76
SCHEMBL17617312 0.68 ALDH1A1 (0.36) MAPTALDH1A1ATMMCL1
SCHEMBL908521 0.67
SCHEMBL14751823 0.64
SCHEMBL18995445 0.63
SCHEMBL5181814 0.62
SCHEMBL2387695 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-9862684-B2 Modulation of K2P channels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-01-09 US disclosed
US-20170049908-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES CENTROSE LLC (US) 2017-02-23 US disclosed
US-20160031814-A1 MODULATION OF K2P CHANNELS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 US disclosed
US-8703723-B2 Glycoside compounds and pharmaceutical compositions thereof CENTROSE, LLC (US) 2014-04-22 US disclosed
US-20130178431-A1 GLYCOSIDE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF CENTROSE, LLC (US) 2013-07-11 US disclosed
US-20120149743-A9 Selenophene and Selenazole Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC (US) 2012-06-14 US disclosed
US-20110275683-A1 Selenophene and Selenazole Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC (US) 2011-11-10 US disclosed
US-20070149463-A1 Bifunctional macrolide heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. 2007-06-28 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 (7 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-20110275683-A1 Selenophene and Selenazole Carboxylic Acid Derivatives DAO, DDO, SELENOI MAPT 129/4885ALDH1A1 415/4885ATM 2637/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 MAPT 4552/4885ALDH1A1 2970/4885ATM 4025/4885
US-20160031814-A1 MODULATION OF K2P CHANNELS KCNJ2, KCNK2, KCNN3 MAPT 226/4885ALDH1A1 3826/4885ATM 3713/4885
US-20070149463-A1 Bifunctional macrolide heterocyclic compounds and methods of making and using the same PAICS, MAP2K4, GIPR MAPT 4601/4885ALDH1A1 4138/4885ATM 4860/4885
US-20170049908-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES ENTPD1, ENTPD2, ENTPD3 MAPT 2700/4885ALDH1A1 1286/4885ATM 3668/4885
US-20120149743-A9 Selenophene and Selenazole Carboxylic Acid Derivatives DAO, DDO, SELENOI MAPT 129/4885ALDH1A1 415/4885ATM 2637/4885
US-20130178431-A1 GLYCOSIDE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF UGCG, NFATC1, GAA MAPT 3783/4885ALDH1A1 1948/4885ATM 3295/4885

“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.