SCHEMBL2235168

SCHEMBL2235168

CC(C)(C(=O)O)C(=O)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.59
CES2 O00748 1/20 0.52
AKR1B1 P15121 1/20 0.52
PAM P19021 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
ALDH1A1 P00352 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTBP2 P56545 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL855690 0.83 CES1 (0.63) CES1CES2AKR1B1PAMMEN1
SCHEMBL20917148 0.82 CES1 (0.53) CES1CES2AKR1B1PAMMEN1
SCHEMBL11730655 0.81 CES1 (0.52) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL7558091 0.81 CES1 (0.61) CES1CES2AKR1B1PAMMEN1
SCHEMBL28410796 0.80 ALDH1A1 (0.57) CES1MEN1KMT2AHDAC8HDAC6
SCHEMBL12902954 0.79 CES1 (0.59) CES1CES2AKR1B1PAMMEN1
SCHEMBL16405134 0.79 CES1 (0.70) CES1CES2AKR1B1PAMMEN1
SCHEMBL5647919 0.79 SLC6A2 (0.53) CES1CES2AKR1B1PAMMEN1
SCHEMBL27781004 0.79 CES1 (0.53) CES1CES2AKR1B1PAMMEN1
SCHEMBL1195864 0.78 CES1 (0.57) CES1CES2AKR1B1PAMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111164194-B Structured unit dose cleaning products 路博润先进材料公司 2022-10-25 CN disclosed
EP-4059573-A1 SOLUBILISING AGENTS AND COMPOSITIONS COMPRISING SAME B&Sens (FR) 2022-09-21 EP disclosed
CN-109952116-B Solid non-aqueous gel air odorants 陶氏环球技术有限责任公司 2021-02-09 CN disclosed
CN-112218612-A Hair modification compositions and methods 路博润先进材料公司 2021-01-12 CN disclosed
EP-3078365-B1 SOLUBILIZING AGENTS AND AQUEOUS COMPOSITIONS COMPRISING THEM DAITO KASEI IND FRANCE (FR) 2020-03-04 EP disclosed
EP-3015100-B1 COSMETIC KAO CORP (JP) 2019-09-25 EP disclosed
US-9757331-B2 Stabilized active compound PRAYON SA (BE) 2017-09-12 US disclosed
EP-3145591-A1 COSMETIC COMPOSITION L'OREAL (FR) 2017-03-29 EP disclosed
US-20170042775-A1 COSMETIC COMPOSITION L'OREAL (FR) 2017-02-16 US disclosed
US-20160367454-A1 COSMETIC COMPOSITION KAO CORPORATION (JP) 2016-12-22 US disclosed
EP-1797054-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI Pharmaceuticals, Inc. (US) 2007-06-20 EP disclosed
US-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2006-09-21 US disclosed
WO-2006084586-A1 DISPERSION OBTAINABLE WITHOUT SOLVENTS AND CONTAINING A 1:1 OR 2:1 CYCLODEXTRIN-ODORIFEROUS SUBSTANCE COMPLEX WACKER CHEMIE AG (DE) 2006-08-17 WO disclosed
WO-2006017443-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-02-16 WO disclosed
US-20060008533-A1 Adsorbates containing active substances BASF AKTIENGESELLSCHAFT (DE) 2006-01-12 US disclosed
US-20050119150-A1 Portioned detergent composition HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-06-02 US disclosed
US-20040259751-A1 Dosed washing and cleaning agent composition HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2004-12-23 US disclosed
US-6432391-B1 FOR APPLICATION TO COSMETIC SUBSTRATES CHOSEN FROM HUMAN SKIN, KERATINOUS SUBSTANCES, SCALPS, AND LIPS, AND WHICH COMPRISES A LIQUID FATTY PHASE GELLED BY A FATTY POLYAMIDE L'ORéAL S.A. (FR) 2002-08-13 US disclosed
US-20020044918-A1 Transparent scented solid cosmetic composition L'OREAL S.A. (FR) 2002-04-18 US disclosed
US-4012392-A ANALGESICS, MORPHINE ANTAGONISTS ACF CHEMIEFARMA N.V. (NL) 1977-03-15 US 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 (4 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-20060008533-A1 Adsorbates containing active substances LIPA, HDLBP, APOB CES1 536/4885CES2 1097/4885AKR1B1 243/4885
US-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds BMX, ERBB2, FRK CES1 4526/4885CES2 4814/4885AKR1B1 2601/4885
US-20170042775-A1 COSMETIC COMPOSITION CUTA, DSG1, H1-0 CES1 2827/4885CES2 3110/4885AKR1B1 2957/4885
US-20020044918-A1 Transparent scented solid cosmetic composition CUTA, FASN, ACADM CES1 536/4885CES2 242/4885AKR1B1 3220/4885

“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.