SCHEMBL25169

SCHEMBL25169

O=CC(=O)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.58
CES2 O00748 1/20 0.58
AKR1B1 P15121 1/20 0.58
PAM P19021 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CTBP2 P56545 1/20 0.47
EPHX2 P34913 1/20 0.47
TSHR P16473 2/20 0.45
ABCC4 O15439 1/20 0.45
LMNA P02545 1/20 0.45

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
Bicarbonate SCHEMBL10938525 0.98 CES1 (0.56) CES1CES2AKR1B1PAMMEN1
SCHEMBL7103949 0.87 LMNA (0.64) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL22263578 0.82 ALOX5 (0.61) HDAC6LMNAPTGS1
SCHEMBL27263026 0.81 CES1 (0.58) CES1CES2AKR1B1PAMMEN1
SCHEMBL15309802 0.80 ALDH1A1 (0.52) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL10403039 0.79 CES1 (0.56) CES1CES2AKR1B1PAMMEN1
SCHEMBL13017383 0.79 CES1 (0.56) CES1CES2AKR1B1PAMMEN1
SCHEMBL669706 0.79 CES1 (0.56) CES1CES2AKR1B1PAMMEN1
SCHEMBL27959315 0.79 CES1 (0.56) CES1CES2AKR1B1PAMMEN1
SCHEMBL13727493 0.79 CA2 (0.58) AKR1B1MEN1KMT2AFNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250114282-A1 Dental materials and methods of making and using thereof Huang, Chong (US) 2025-04-10 US claimed
US-20240423878-A2 SELF-ADHESIVE FISSURE SEALANT KULZER GMBH (DE) 2024-12-26 US claimed
US-20240216229-A1 SELF-ADHESIVE FISSURE SEALANT KULZER GMBH (DE) 2024-07-04 US claimed
EP-4391827-A1 METHOD OF MITIGATING OFF-ODORS Givaudan SA (CH) 2024-07-03 EP claimed
US-20240197577-A1 SELF-ADHESIVE DENTAL MATERIAL KULZER GMBH (DE) 2024-06-20 US claimed
WO-2024110805-A1 CURABLE COMPOSITION FOR USE IN A PROCESS OF TREATING A DENTAL SITUATION IN THE MOUTH OF A PATIENT SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-05-30 WO claimed
US-20240052079-A1 ANTIBACTERIAL ESTER-FREE MONOMERS FOR DENTAL ADHESIVES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-02-15 US claimed
EP-4312945-A1 SELF-ADHESIVE DENTAL MATERIAL Kulzer GmbH (DE) 2024-02-07 EP claimed
EP-4312947-A1 SELF-ADHESIVE FISSURE SEALANT Kulzer GmbH (DE) 2024-02-07 EP claimed
US-20230383093-A1 COMPOSITION AND METHOD FOR MICROBIAL CONTROL FOR USE WITH POLYMERS FIFTH THIRD BANK, NATIONAL ASSOCIATION, AS AGENT 2023-11-30 US claimed
EP-1716159-A2 CYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS General Electronic Company (US) 2006-11-02 EP claimed
EP-1697386-A1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES General Electric Company A Corporation of the State of New York (US) 2006-09-06 EP claimed
US-20050282102-A1 Kit for use by dental professionals CMS-DENTAL APS (DK) 2005-12-22 US claimed
WO-2005066187-A1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GENERAL ELECTRIC COMPANY (US) 2005-07-21 WO claimed
WO-2005066186-A2 CYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS GENERAL ELECTRIC COMPANY (US) 2005-07-21 WO claimed
WO-2003072793-A2 METHOD FOR PRODUCING ALCOHOLS FROM SUBSTRATES BY USING OXIDE REDUCTASES, TWO-PHASE SYSTEM COMPRISING AN AQUEOUS PHASE AND AN ORGANIC PHASE AND DEVICE FOR CARRYING OUT SAID METHOD Forschungszentrum Jülich GmbH (DE) 2003-09-04 WO claimed
EP-0985333-A1 NEW PROCESS FOR MODIFICATION OF SURFACES Cuptronic AB (SE) 2000-03-15 EP claimed
WO-1998034446-A1 NEW PROCESS FOR MODIFICATION OF SURFACES CUPTRONIC AB (SE) 1998-08-06 WO claimed
US-5783621-A Method of decreasing bleed fom organic-based formulations and anti-bleed compositions JOHNSON MATTHEY, INC. (US) 1998-07-21 US claimed
EP-0382209-A2 Photocurable composition NIPPON PAINT CO., LTD. (JP) 1990-08-16 EP claimed

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-20240197577-A1 SELF-ADHESIVE DENTAL MATERIAL CAD, MTHFD2, MAT2B CES1 4093/4885CES2 4175/4885AKR1B1 2363/4885
US-20240052079-A1 ANTIBACTERIAL ESTER-FREE MONOMERS FOR DENTAL ADHESIVES CDH1, ICAM1, CAD CES1 1210/4885CES2 310/4885AKR1B1 2061/4885
US-20240423878-A2 SELF-ADHESIVE FISSURE SEALANT ESD, GFER, FUS CES1 4554/4885CES2 4653/4885AKR1B1 1917/4885
US-20240216229-A1 SELF-ADHESIVE FISSURE SEALANT ESD, GFER, FUS CES1 4554/4885CES2 4653/4885AKR1B1 1917/4885

“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.