SCHEMBL3411650

SCHEMBL3411650

CC(C)(C)CC(C)(O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TET2 Q6N021 1/20 0.46
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
POLB P06746 1/20 0.33
GGT1 P19440 1/20 0.30

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
SCHEMBL6054302 0.88 ALDH1A1 (0.53) TSHRALDH1A1TET2HMGCRCHRM1
SCHEMBL15841566 0.82 ALDH1A1 (0.47) TSHRALDH1A1TET2HMGCRCHRM1
SCHEMBL3951357 0.78 TSHR (0.43) TSHRALDH1A1TET2HMGCRCHRM1
SCHEMBL6054231 0.78 ALDH1A1 (0.56) TSHRALDH1A1TET2HMGCRCHRM1
SCHEMBL6441636 0.77 ALDH1A1 (0.47) TSHRALDH1A1TET2HMGCRCHRM1
SCHEMBL253116 0.77 ALDH1A1 (0.47) TSHRALDH1A1TET2HMGCRCHRM1
Bicarbonate SCHEMBL26105671 0.74 TSHR (0.41) TSHRALDH1A1TET2HMGCRCHRM1
SCHEMBL2899117 0.73
SCHEMBL85014 0.73 TSHR (0.42) TSHRALDH1A1TET2HMGCRCHRM1
SCHEMBL79613 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276776-B1 CATALYST FOR PRODUCING AN ULTRA HIGH MOLECULAR WEIGHT POLYETHYLENE AND METHOD FOR PRODUCING AN ULTRA HIGH MOLECULAR WEIGHT POLYETHYLENE USING THE SAME SAMSUNG GENERAL CHEMICALS CO (KR) 2006-11-02 EP claimed
US-5459116-A Magnesium, titanium, halogen and hydroxyalkyl ester compounds; stereospecific, bulk density; polyethylene SAMSUNG GENERAL CHEMICALS CO., LTD. (KR) 1995-10-17 US claimed
US-7803785-B2 Gemcitabine prodrugs, pharmaceutical compositions and uses thereof XENOPORT, INC. (US) 2010-09-28 US disclosed
US-20100016254-A1 GEMCITABINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2010-01-21 US disclosed
US-7608602-B2 Gemcitabine prodrugs, pharmaceutical compositions and uses thereof XENOPORT, INC. (US) 2009-10-27 US disclosed
US-20080021208-A1 Gemcitabine Prodrugs, Pharmaceutical Compositions and Uses Thereof XENOPORT, INC. (US) 2008-01-24 US disclosed
US-7265096-B2 Gemcitabine prodrugs, pharmaceutical compositions and uses thereof XENOPORT, INC. (US) 2007-09-04 US disclosed
EP-1421122-B1 CATALYST FOR POLYMERIZATION AND COPOLYMERIZATION OF ETHYLENE SAMSUNG GENERAL CHEMICALS CO (KR) 2006-06-14 EP disclosed
EP-1401882-B1 CATALYST FOR POLYMERIZATION AND COPOLYMERIZATION OF ETHYLENE SAMSUNG GENERAL CHEMICALS CO (KR) 2006-06-14 EP disclosed
EP-1567169-A2 GEMCITABINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2005-08-31 EP disclosed
EP-1421122-A4 CATALYST FOR POLYMERIZATION AND COPOLYMERIZATION OF ETHYLENE SAMSUNG GENERAL CHEMICALS CO (KR) 2005-05-04 EP disclosed
US-20040023792-A1 Catalyst for polymerization and copolymerization of ethylene HANWHA TOTAL PETROCHEMICAL CO., LTD. (KR) 2004-02-05 US disclosed
US-20030032551-A1 Catalyst for polymerization and copolymerization of ethylene HANWHA TOTAL PETROCHEMICAL CO., LTD. (KR) 2003-02-13 US disclosed
WO-2003000747-A1 CATALYST FOR POLYMERIZATION AND COPOLYMERIZATION OF ETHYLENE SAMSUNG GENERAL CHEMICALS CO., LTD. (KR) 2003-01-03 WO disclosed
WO-2003000745-A1 CATALYST FOR POLYMERIZATION AND COPOLYMERIZATION OF ETHYLENE SAMSUNG GENERAL CHEMICALS CO., LTD. (KR) 2003-01-03 WO disclosed
EP-0607191-B1 DYE-IMAGE RECEIVING ELEMENT FOR USE ACCORDING TO THERMAL DYE SUBLIMATION TRANSFER AGFA GEVAERT NV (BE) 1996-03-20 EP disclosed
US-5459116-A Magnesium, titanium, halogen and hydroxyalkyl ester compounds; stereospecific, bulk density; polyethylene SAMSUNG GENERAL CHEMICALS CO., LTD. (KR) 1995-10-17 US disclosed
US-5376618-A Receiver layer contains copolyester from diols, dicarboxylic acids and long chain alkyl hydroxy-carboxylic acids AGFA-GEVAERT, N.V. (BE) 1994-12-27 US disclosed
EP-0481130-B1 Thermal dye sublimation transfer receiving element AGFA GEVAERT NV (BE) 1994-06-08 EP disclosed
EP-0481130-A1 Thermal dye sublimation transfer receiving element AGFA-GEVAERT N.V. (BE) 1992-04-22 EP 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 (2 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-20100016254-A1 GEMCITABINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TYMP, GDA, GCG TSHR 4354/4885ALDH1A1 1615/4885TET2 3091/4885
US-20080021208-A1 Gemcitabine Prodrugs, Pharmaceutical Compositions and Uses Thereof TYMP, GDA, GCG TSHR 4354/4885ALDH1A1 1615/4885TET2 3091/4885

“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.