SCHEMBL106992

SCHEMBL106992

CC(C)CC(=O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
AKR1B1 P15121 1/20 0.52
MMP3 P08254 1/20 0.49
CASP1 P29466 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 1/20 0.47
PSMB8 P28062 1/20 0.46
PSMB5 P28074 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CNR2 P34972 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL21944189 0.88 TSHR (0.53) TSHRCES2CES1AKR1B1MMP3
SCHEMBL21828466 0.86 TSHR (0.49) TSHRCES2CES1AKR1B1TDP1
SCHEMBL21633582 0.84 TSHR (0.50) TSHRCES2CES1AKR1B1MMP3
SCHEMBL21633584 0.84 TSHR (0.50) TSHRCES2CES1AKR1B1MMP3
SCHEMBL9533538 0.84 TSHR (0.50) TSHRCES2CES1AKR1B1MMP3
SCHEMBL108380 0.82 TSHR (0.49) TSHRCES2CES1AKR1B1MMP3
SCHEMBL27498438 0.82 TSHR (0.49) TSHRCES2CES1AKR1B1MMP3
SCHEMBL5646054 0.82 ALDH1A1 (0.52) TSHRTDP1L3MBTL1ALDH1A1KMT2A
SCHEMBL448700 0.82 CES2 (0.68) TSHRCES2CES1AKR1B1ALDH1A1
SCHEMBL14010064 0.82 HPGD (0.47) ALDH1A1KMT2AHPGDSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115724729-B 1-Aryl-alpha, beta-unsaturated ketone compound, synthesis method thereof and application thereof in preparation of root-knot nematode killing drugs 陕西省生物农业研究所 2024-05-17 CN claimed
US-20190010427-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
US-20190010293-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
EP-2463374-A2 Isolated alcohol dehydrogenase enzymes and uses thereof Bio Architecture Lab, Inc. (US) 2012-06-13 EP claimed
EP-1716159-B1 BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-13 EP claimed
EP-2320745-A1 SWEETENER, METHODS OF PREPARING SWEETENER AND APPLICATIONS THEREOF Cargill, Incorporated (US) 2011-05-18 EP claimed
US-20110059218-A1 SWEETENER, METHODS OF PREPARING SWEETENER AND APPLICATIONS THEREOF CARGILL INCORPORATED (US) 2011-03-10 US claimed
EP-2195440-A2 BIOFUEL PRODUCTION Bio Architecture Lab, Inc. (US) 2010-06-16 EP claimed
WO-2009137838-A1 SWEETENER, METHODS OF PREPARING SWEETENER AND APPLICATIONS THEREOF CARGILL, INCORPORATED (US) 2009-11-12 WO claimed
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO claimed
US-7579495-B2 Active-releasing cyclic siloxanes MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2009-08-25 US claimed
US-7576170-B2 Cyclic siloxane compositions for the release of active ingredients MOMENTIVE PERFORMANCE MATERIALS (US) 2009-08-18 US claimed
US-20090155873-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-18 US claimed
US-20090139134-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-04 US claimed
WO-2009046375-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed
EP-1716159-A2 CYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS General Electronic Company (US) 2006-11-02 EP claimed
WO-2005066186-A2 CYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS GENERAL ELECTRIC COMPANY (US) 2005-07-21 WO claimed
US-20050136021-A1 Active-releasing cyclic siloxanes MOMENTIVE PERFORMANCE MATERIALS INC. 2005-06-23 US claimed
US-20050136022-A1 Cyclic siloxane compositions for the release of active ingredients MOMENTIVE PERFORMANCE MATERIALS INC. 2005-06-23 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20050136022-A1 Cyclic siloxane compositions for the release of active ingredients F9, RPL39, ECPAS TSHR 4528/4885CES2 141/4885CES1 1149/4885
US-20050136021-A1 Active-releasing cyclic siloxanes F9, RPL39, ALDH16A1 TSHR 4168/4885CES2 147/4885CES1 1131/4885
US-20090139134-A1 BIOFUEL PRODUCTION MGAM, DCXR, MANBA TSHR 3426/4885CES2 60/4885CES1 73/4885

“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.