SCHEMBL93137

SCHEMBL93137

CCC(C)(C(C)=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
FFAR3 O14843 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
TET2 Q6N021 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
SCHEMBL28473558 0.97 ALDH1A1 (0.36) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL13051348 0.85 ALDH1A1 (0.39) ALDH1A1TSHRFFAR3TDP1GAA
SCHEMBL580509 0.85 TSHR (0.44) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL8187643 0.81 ALDH1A1 (0.36) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL27984219 0.79 ALDH1A1 (0.35) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL16583132 0.78 TSHR (0.38) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL8600530 0.77 AKR1B1 (0.37) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL6273792 0.77 TSHR (0.33) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL3470836 0.76 TSHR (0.36) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL11359551 0.76 FFAR3 (0.38) ALDH1A1TSHRCYP2D6CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020026143-A1 PROCESS FOR MAKING A CONSUMER PRODUCT COMPRISING MODIFIED POLYSACCHARIDES PROCTER & GAMBLE INTERNATIONAL OPERATIONS SA (CH) 2020-02-06 WO claimed
US-20200040108-A1 PROCESS FOR MAKING A CONSUMER PRODUCT COMPRISING MODIFIED POLYSACCHARIDES PROCTER & GAMBLE INTERNATIONAL OPERATIONS SA 2020-02-06 US claimed
EP-3604346-A1 PROCESS FOR MAKING A CONSUMER PRODUCT COMPRISING MODIFIED POLYSACCHARIDES Procter & Gamble International Operations SA (CH) 2020-02-05 EP claimed
US-10189015-B2 Hydroprocessing catalyst composition containing an acetoacetic acid compound, a method of making such a catalyst, and a process of using such catalyst SHELL OIL COMPANY (US) 2019-01-29 US claimed
EP-3209752-A1 A HYDROPROCESSING CATALYST COMPOSITION CONTAINING AN ACETOACETIC ACID COMPOUND, A METHOD OF MAKING SUCH A CATALYST, AND A PROCESS OF USING SUCH CATALYST CATALYST Shell Internationale Research Maatschappij B.V. (NL) 2017-08-30 EP claimed
US-20160152825-A1 PROCESS FOR PRODUCING COMPOSITES EVONIK DEGUSSA GMBH (DE) 2016-06-02 US claimed
EP-3026072-A1 Method for the preparation of composites Evonik Degussa GmbH (DE) 2016-06-01 EP claimed
US-20160114315-A1 HYDROPROCESSING CATALYST COMPOSITION CONTAINING AN ACETOACETIC ACID COMPOUND, A METHOD OF MAKING SUCH A CATALYST, AND A PROCESS OF USING SUCH CATALYST SHELL USA, INC. 2016-04-28 US claimed
US-9117962-B2 CIGS light-absorbing ink and method for preparing CIGS light-absorbing layer GS CALTEX CORPORATION (KR) 2015-08-25 US claimed
US-20150132885-A1 CIGS LIGHT-ABSORBING INK AND METHOD FOR PREPARING CIGS LIGHT-ABSORBING LAYER GS CALTEX CORPORATION (KR) 2015-05-14 US claimed
US-20150125989-A1 METHOD FOR PREPARING LIGHT-ABSORBING LAYER FOR CIS- OR CIGS-BASED SOLAR CELLS, AND LIGHT-ABSORBING INK FOR CIS- OR CIGS-BASED SOLAR CELLS GS CALTEX CORPORATION (KR) 2015-05-07 US claimed
WO-2008072257-A2 PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2008-06-19 WO claimed
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed
EP-0900214-B1 PROCESS FOR PREPARATION OF PYRIMIDINE DERIVATIVES YUHAN CORP (KR) 2001-09-26 EP claimed
EP-0226558-B1 Chemical intermediates and methods for their preparation HAESSLE AB (SE) 1994-04-06 EP claimed
JP-54130598-A None JP disclosed
US-12559457-B2 Sulfonamide derivatives for protein degradation DANA-FARBER CANCER INSTITUTE, INC. (US) 2026-02-24 US disclosed
US-4291036-A Pyrido[1,2-A]pyrimidine derivatives and method of analgesic treatment CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1981-09-22 US disclosed
US-4219649-A ANALGESICS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) 1980-08-26 US disclosed
JP-S54130598-A PREPARATION OF 1,2-DIHYDRO-3H-PYRROLO3,2-EINDOLE DERIVATIVE MITSUI TOATSU CHEM INC 1979-10-09 JP 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-12559457-B2 Sulfonamide derivatives for protein degradation CRBN, ADRM1, RBX1 ALDH1A1 3921/4885TSHR 1520/4885CYP2D6 4676/4885
US-20200040108-A1 PROCESS FOR MAKING A CONSUMER PRODUCT COMPRISING MODIFIED POLYSACCHARIDES MGAM, FUT5, FUT6 ALDH1A1 464/4885TSHR 1930/4885CYP2D6 1424/4885

“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.