SCHEMBL5266201

SCHEMBL5266201

CCC(C)(COc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.48
PPARG P37231 3/20 0.48
PPARD Q03181 1/20 0.48
ALOX15 P16050 1/20 0.46
RECQL P46063 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
HPGD P15428 1/20 0.43
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
SSTR4 P31391 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL17662382 0.86 PPARA (0.46) PPARAPPARGALOX15RECQLMTNR1A
SCHEMBL11530015 0.85 RAB9A (0.44) PPARAALOX15RECQLMTNR1AMTNR1B
SCHEMBL3102146 0.85 PPARA (0.51) PPARAPPARGPPARDL3MBTL1SSTR4
SCHEMBL7253892 0.80 PPARA (0.44) PPARAPPARGPPARDL3MBTL1
SCHEMBL5724626 0.79 PPARA (0.58) PPARAPPARGALOX15SSTR4
SCHEMBL5822085 0.79 PPARA (0.44) PPARAPPARGALOX15RECQLMTNR1A
SCHEMBL7805112 0.78 PPARA (0.49) PPARAPPARGALOX15MTNR1AMTNR1B
SCHEMBL5822712 0.77 KDM4E (0.56) PPARAPPARGHPGDKDM4EMEN1
SCHEMBL2517194 0.76 ALDH1A1 (0.60) PPARAPPARGALOX15MTNR1AMTNR1B
SCHEMBL3465226 0.76 PPARA (0.47) PPARAPPARGALOX15MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146110-A N-difluoromethyl carbonyl compound and preparation method thereof 中山大学附属第一医院 2024-06-07 CN claimed
CN-118146110-A N-difluoromethyl carbonyl compound and preparation method thereof 中山大学附属第一医院 2024-06-07 CN disclosed
EP-1242574-B1 USE OF A PORTION FOR MANUAL DISHWASHING AND/OR FOR MANUAL HARD SURFACES CLEANING HENKEL KGAA (DE) 2007-10-10 EP disclosed
WO-2006058199-A1 METHODS OF MODULATING HIGH-DENSITY LIPOPROTEIN CHOLESTEROL LEVELS AND PHARMACEUTICAL FORMULATIONS FOR THE SAME FAZIX CORPORATION (US) 2006-06-01 WO disclosed
US-20060111346-A1 Methods of modulating high-density lipoprotein cholesterol levels and pharmaceutical formulations for the same FAZIX CORPORATION. 2006-05-25 US disclosed
WO-2006021257-A1 COLOURED, SHAPED SYNDET OR SEMI-SYNDET SOAP MATERIAL HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-03-02 WO disclosed
EP-1430933-A2 Cosmetic and pharmaceutical compositions comprising steroid sulfatase inhibitors and their use for the reduction of hair loss Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-23 EP disclosed
EP-1117377-B1 COSMETIC PREPARATIONS COGNIS DEUTSCHLAND GMBH (DE) 2004-04-21 EP disclosed
EP-1097270-B1 USE OF PIT EMULSIONS COGNIS DEUTSCHLAND GMBH (DE) 2003-06-04 EP disclosed
EP-1112058-B1 USE OF CYCLIC CARBONATES AS MOISTURISERS COGNIS DEUTSCHLAND GMBH (DE) 2002-11-13 EP disclosed
EP-1242574-A1 DISHWASHER DETERGENT PORTION Henkel Kommanditgesellschaft auf Aktien (DE) 2002-09-25 EP disclosed
EP-1112058-A1 USE OF CYCLIC CARBONATES AS MOISTURISERS Cognis Deutschland GmbH (DE) 2001-07-04 EP disclosed
EP-1097270-A1 USE OF PIT EMULSIONS Cognis Deutschland GmbH (DE) 2001-05-09 EP disclosed
WO-2001029172-A1 DISHWASHER DETERGENT PORTION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-04-26 WO disclosed
EP-0992489-A1 Betaines Cognis Deutschland GmbH (DE) 2000-04-12 EP disclosed
EP-0992488-A2 Quaternary ammonium compounds Henkel KGaA (DE) 2000-04-12 EP disclosed
WO-2000015186-A1 USE OF CYCLIC CARBONATES AS MOISTURISERS COGNIS DEUTSCHLAND GMBH (DE) 2000-03-23 WO disclosed
EP-0982024-A2 Cosmetic and/or pharmaceutical W/O emulsions Henkel KGaA (DE) 2000-03-01 EP disclosed
WO-2000004230-A1 USE OF PIT EMULSIONS COGNIS DEUTSCHLAND GMBH (DE) 2000-01-27 WO 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 (1 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-20060111346-A1 Methods of modulating high-density lipoprotein cholesterol levels and pharmaceutical formulations for the same HDLBP, LDLR, CETP PPARA 194/4885PPARG 199/4885PPARD 304/4885

“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.