SCHEMBL6942981

SCHEMBL6942981

O=C1C=C(OC(=O)c2ccccc2)CCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
KMT2A Q03164 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.46
F2 P00734 1/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
STAT3 P40763 1/20 0.43
SLC6A3 Q01959 1/20 0.42
MEN1 O00255 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
SCHEMBL25440082 0.83 KMT2A (0.60) MAPTKMT2ALMNAALDH1A1CYP1A2
SCHEMBL15133252 0.83 MAPT (0.43) MAPTKMT2AALDH1A1
SCHEMBL31197024 0.82 KMT2A (0.53) MAPTKMT2ASMN1; SMN2TSHRF2
SCHEMBL13898818 0.82 ALDH1A1 (0.54) MAPTKMT2ATSHRLMNAALDH1A1
SCHEMBL29151822 0.77 HRH3 (0.45) MAPTSLC6A3
SCHEMBL9341204 0.77 KMT2A (0.49) MAPTKMT2ASMN1; SMN2TSHRF2
SCHEMBL6353529 0.76 KMT2A (0.51) MAPTKMT2ASMN1; SMN2TSHRF2
SCHEMBL30578029 0.75 MAPT (0.57) MAPTKMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL15133254 0.74 L3MBTL1 (0.45) MAPTSMN1; SMN2LMNA
SCHEMBL3143807 0.74 KMT2A (0.53) MAPTKMT2ASMN1; SMN2TSHRF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382840-A1 ANTI-INFLAMMATORY COMPOUNDS AMAR SALOMON (US) 2023-11-30 US disclosed
US-20230382840-A1 ANTI-INFLAMMATORY COMPOUNDS AMAR SALOMON (US) 2023-11-30 US disclosed
US-11767283-B2 Anti-inflammatory compounds AMAR SALOMON (US) 2023-09-26 US disclosed
US-11767283-B2 Anti-inflammatory compounds AMAR SALOMON (US) 2023-09-26 US disclosed
US-7244692-B2 Substituted benzoylcyclohexane diones for use as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2007-07-17 US disclosed
EP-1034159-B1 PROCESS FOR THE PREPARATION OF ACYLATED CYCLIC 1,3-DICARBONYL COMPOUNDS SYNGENTA LTD (GB) 2003-01-22 EP disclosed
US-6218579-B1 REARRANGEMENT OF CYCLOALKANONE ENOL ESTER IN PRESENCE OF AZOLE AND BASE ZENECA LIMITED (GB) 2001-04-17 US disclosed
EP-1034159-A1 PROCESS FOR THE PREPARATION OF ACYLATED CYCLIC 1,3-DICARBONYL COMPOUNDS ZENECA LIMITED (GB) 2000-09-13 EP disclosed
WO-1999028282-A1 PROCESS FOR THE PREPARATION OF ACYLATED CYCLIC 1,3-DICARBONYL COMPOUNDS ZENECA LIMITED (GB) 1999-06-10 WO disclosed
EP-0320864-A2 4-Benzoyl-3-hydroxy-5-oxo-3-cyclohexene-carboxylic-acid derivatives, process for their preparation and their use as plant growth-regulating agents SCHERING AKTIENGESELLSCHAFT (DE) 1989-06-21 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 (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-20230382840-A1 ANTI-INFLAMMATORY COMPOUNDS TNF, IL1A, NFKBIA MAPT 4746/4885KMT2A 786/4885SMN1; SMN2 4809/4885
US-11767283-B2 Anti-inflammatory compounds TNF, IL1A, NFKBIA MAPT 4734/4885KMT2A 815/4885SMN1; SMN2 4818/4885

“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.