SCHEMBL224139

SCHEMBL224139

CCOCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
CA14 Q9ULX7 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CTSK P43235 3/20 0.33
GBA1 P04062 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
FPR3 P25089 1/20 0.31
FPR2 P25090 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
SCHEMBL30010359 0.96 ALDH1A1 (0.37) PDK2HDAC6HDAC1HDAC2ALDH1A1
SCHEMBL30011083 0.96 ALDH1A1 (0.37) PDK2HDAC6HDAC1HDAC2ALDH1A1
SCHEMBL30011885 0.96 ALDH1A1 (0.37) PDK2HDAC6HDAC1HDAC2ALDH1A1
SCHEMBL22276510 0.89 PDK2 (0.40) PDK2HDAC6HDAC1HDAC2CA14
SCHEMBL22276649 0.89 PDK2 (0.40) PDK2HDAC6HDAC1HDAC2CA14
SCHEMBL25937411 0.87 PDK2 (0.38) PDK2HDAC6HDAC1HDAC2CA14
SCHEMBL25937432 0.86 PDK2 (0.37) PDK2HDAC6HDAC1HDAC2CA14
SCHEMBL25937524 0.86 PDK2 (0.37) PDK2HDAC6HDAC1HDAC2CA14
SCHEMBL25937497 0.86 PDK2 (0.37) PDK2HDAC6HDAC1HDAC2CA14
SCHEMBL25937472 0.86 PDK2 (0.37) PDK2HDAC6HDAC1HDAC2CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-01-25 US disclosed
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-14 US disclosed
US-20230242506-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS GENENTECHT, INC. (US) 2023-08-03 US disclosed
EP-3777898-A2 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY Endocyte, Inc. (US) 2021-02-17 EP disclosed
EP-3533473-A2 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY Endocyte, Inc. (US) 2019-09-04 EP disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 PDK2 3928/4885HDAC6 1847/4885HDAC1 70/4885
US-20230242506-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS TEAD1, TEAD2, TEAD4 PDK2 1212/4885HDAC6 232/4885HDAC1 382/4885
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 PHKG1, PDXK, HIPK1 PDK2 101/4885HDAC6 1178/4885HDAC1 1190/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 PDK2 3755/4885HDAC6 2048/4885HDAC1 128/4885
US-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES PFAS, DDT, NOTUM PDK2 695/4885HDAC6 1450/4885HDAC1 1649/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 PDK2 3932/4885HDAC6 2189/4885HDAC1 157/4885

“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.