SCHEMBL665258

SCHEMBL665258

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
ALDH1A1 P00352 6/20 0.41
TP53 P04637 1/20 0.41
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
TDP1 Q9NUW8 4/20 0.36
KDM4E B2RXH2 1/20 0.36
FFAR1 O14842 1/20 0.36
CPT2 P23786 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
FFAR3 O14843 1/20 0.32
HSD11B1 P28845 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
SCHEMBL4261693 0.89 KDM4E (0.52) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL1409381 0.88
SCHEMBL11324877 0.85
SCHEMBL13343045 0.83 TSHR (0.38) TSHRALDH1A1TP53HMGCRCHRM1
SCHEMBL1409491 0.83 TSHR (0.43) TSHRALDH1A1TP53HMGCRCHRM1
SCHEMBL11318440 0.83
SCHEMBL2526094 0.83 TSHR (0.40) TSHRALDH1A1TP53KDM4E
SCHEMBL27941651 0.81 FFAR1 (0.39) TSHRALDH1A1TP53TDP1KDM4E
SCHEMBL12055332 0.81 DGKA (0.38) TSHRALDH1A1TP53ADRA1A
SCHEMBL212208 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119119619-A Anti-aging PE pipe and preparation method thereof 甘肃海纳塑业有限公司 2024-12-13 CN claimed
EP-1149836-B1 Polynalbuphine derivatives HU OLIVER YOA PU (TW) 2003-02-26 EP claimed
EP-1149836-A1 Polynalbuphine derivatives Hu, Oliver Yoa-Pu (TW) 2001-10-31 EP claimed
CN-119119619-A Anti-aging PE pipe and preparation method thereof 甘肃海纳塑业有限公司 2024-12-13 CN disclosed
EP-3796900-A1 TRITERPENE AMINE DERIVATIVES DFH Therapeutics (US) 2021-03-31 EP disclosed
US-20170096446-A1 Extended Triterpene Derivatives MYREXIS, INC. (US) 2017-04-06 US disclosed
US-9505800-B2 Extended triterpene derivatives MYREXIS, INC. (US) 2016-11-29 US disclosed
US-20120046291-A1 Extended Triterpene Derivatives MYREXIS, INC. 2012-02-23 US disclosed
WO-2008057420-A2 EXTENDED TRITERPENE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-05-15 WO disclosed
US-7173024-B2 Compounds having prolyl oligopeptidase inhibitory activity, methods for their preparation and their use ORION CORPORATION (FI) 2007-02-06 US disclosed
US-20050020677-A1 Compounds having prolyl oligopeptidase inhibitory activity, methods for their preparation and their use ORION CORPORATION (FI) 2005-01-27 US disclosed
EP-1401810-A1 COMPOUNDS HAVING PROLYL OLIGOPEPTIDASE INHIBITORY ACTIVITY, METHODS FOR THEIR PREPARATION AND THEIR USE ORION CORPORATION (FI) 2004-03-31 EP disclosed
EP-1149836-B1 Polynalbuphine derivatives HU OLIVER YOA PU (TW) 2003-02-26 EP disclosed
WO-2003004468-A1 COMPOUNDS HAVING PROLYL OLIGOPEPTIDASE INHIBITORY ACTIVITY, METHODS FOR THEIR PREPARATION AND THEIR USE ORION CORPORATION (FI) 2003-01-16 WO disclosed
EP-1149836-A1 Polynalbuphine derivatives Hu, Oliver Yoa-Pu (TW) 2001-10-31 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 (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-20170096446-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO TSHR 4604/4885ALDH1A1 4419/4885TP53 3061/4885
US-20050020677-A1 Compounds having prolyl oligopeptidase inhibitory activity, methods for their preparation and their use DNPEP, PREP, ANPEP TSHR 3931/4885ALDH1A1 827/4885TP53 1510/4885
US-20120046291-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO TSHR 4604/4885ALDH1A1 4419/4885TP53 3061/4885

“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.