SCHEMBL11629969

SCHEMBL11629969

CC(C)C(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
MAPK1 P28482 1/20 0.65
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
SRD5A2 P31213 1/20 0.57
TAS1R3 Q7RTX0 2/20 0.55
TAS1R1 Q7RTX1 2/20 0.55
HPGD P15428 4/20 0.54
PKM P14618 2/20 0.54
NPC1 O15118 2/20 0.54
MAPT P10636 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL10716391 0.91 ALDH1A1 (0.62) ALDH1A1MAPK1MEN1KMT2ASRD5A2
SCHEMBL13595551 0.91 TSHR (0.61) ALDH1A1MAPK1HPGDPKMNPC1
SCHEMBL30871744 0.88 ALDH1A1 (0.59) ALDH1A1MAPK1MEN1KMT2ASRD5A2
SCHEMBL12876370 0.88 RAB9A (0.58) ALDH1A1MAPK1KMT2AHPGDNPC1
SCHEMBL20944622 0.88 MEN1 (0.59) ALDH1A1MAPK1MEN1KMT2ASRD5A2
SCHEMBL5744650 0.88 ALDH1A1 (0.59) ALDH1A1MAPK1MEN1KMT2ASRD5A2
SCHEMBL13595550 0.88 RAB9A (0.55) ALDH1A1MAPK1MEN1KMT2AHPGD
SCHEMBL29463151 0.88 ALDH1A1 (0.59) ALDH1A1MAPK1MEN1KMT2ASRD5A2
Methylone SCHEMBL25263013 0.85 ALDH1A1 (0.56) ALDH1A1MAPK1MEN1KMT2ASRD5A2
Methylone SCHEMBL1826389 0.85 ALDH1A1 (0.56) ALDH1A1MAPK1MEN1KMT2ASRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567417-B Preparation and application of benzamide compounds 山东绿霸化工股份有限公司 2024-09-20 CN disclosed
CN-117567417-A Preparation and application of benzamide compounds 山东绿霸化工股份有限公司 2024-02-20 CN disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230192642-A1 ISOTOPOLOGUES SALTS, CRYSTALLINE FORMS, STEREOISOMERS, OF METHYLONE AND ETHYLONE AND METHODS OF USE THEREOF TERRAN BIOSCIENCES INC. 2023-06-22 US disclosed
CN-113788856-B Oxime ester thiophosphoryl amine compound and preparation method and application thereof 青岛农业大学 2023-02-21 CN disclosed
US-20220411426-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-12-29 US disclosed
CN-113788856-A Oxime ester thiophosphoryl amine compound and preparation method and application thereof 青岛农业大学 2021-12-14 CN disclosed
US-11040976-B2 Substrate selective inhibitors of insulin-degrading enzyme (IDE) and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-22 US disclosed
US-20190016723-A9 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-01-17 US disclosed
US-7919523-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-7919523-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-20100093747-A1 METHOD OF INDUCING NEGATIVE CHEMOTAXIS CELTAXSYS, INC. 2010-04-15 US disclosed
WO-2009111447-A2 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS SENOMYX, INC. (US) 2009-09-11 WO disclosed
US-20090220662-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS SENOMYX, INC. 2009-09-03 US disclosed
US-20090042973-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US disclosed
US-20090042973-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US disclosed
US-7442718-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-28 US disclosed
US-7442718-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-28 US disclosed
US-4116665-A Method of regulating the growth of aquatic weeds with pyridine derivatives ELI LILLY AND COMPANY (US) 1978-09-26 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 (8 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-20100093747-A1 METHOD OF INDUCING NEGATIVE CHEMOTAXIS PMAIP1, CDC42, DCX ALDH1A1 3761/4885MAPK1 2519/4885MEN1 4129/4885
US-20090042973-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 ALDH1A1 1604/4885MAPK1 3466/4885MEN1 4418/4885
US-20090220662-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS TAS2R10, TAS2R41, TAS2R30 ALDH1A1 408/4885MAPK1 3252/4885MEN1 4307/4885
US-20230192642-A1 ISOTOPOLOGUES SALTS, CRYSTALLINE FORMS, STEREOISOMERS, OF METHYLONE AND ETHYLONE AND METHODS OF USE THEREOF PYGB, NR3C2, CYP11B1 ALDH1A1 2288/4885MAPK1 2072/4885MEN1 1408/4885
US-20220411426-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 ALDH1A1 1111/4885MAPK1 2982/4885MEN1 3889/4885
US-20190016723-A9 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 ALDH1A1 1194/4885MAPK1 3017/4885MEN1 3885/4885
US-11040976-B2 Substrate selective inhibitors of insulin-degrading enzyme (IDE) and uses thereof IDE, SI, GPR119 ALDH1A1 1194/4885MAPK1 3017/4885MEN1 3885/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV ALDH1A1 1863/4885MAPK1 4249/4885MEN1 4306/4885

“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.