SCHEMBL2027720

SCHEMBL2027720

CC1(C)CC(=O)C=C(OC(=O)c2ccc(Cl)cc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 1.00
KMT2A Q03164 4/20 1.00
HPGD P15428 4/20 1.00
ALDH1A1 P00352 2/20 0.76
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 3/20 0.42
GAA P10253 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL25440183 0.87 MAPT (0.78) MAPTKMT2AHPGDALDH1A1POLB
SCHEMBL25440072 0.87 KMT2A (1.00) MAPTKMT2AHPGDALDH1A1POLB
SCHEMBL25440299 0.85 KMT2A (0.76) MAPTKMT2AHPGDALDH1A1POLB
SCHEMBL25440184 0.84 KMT2A (0.74) MAPTKMT2AHPGDALDH1A1POLB
SCHEMBL30578028 0.82 HPGD (0.69) MAPTKMT2AHPGDALDH1A1POLB
SCHEMBL25440173 0.82 HPGD (0.69) MAPTKMT2AHPGDALDH1A1POLB
SCHEMBL30679695 0.78 KMT2A (0.65) MAPTKMT2AHPGDALDH1A1POLB
SCHEMBL25440265 0.78 KMT2A (0.65) MAPTKMT2AHPGDALDH1A1POLB
SCHEMBL6164008 0.76 HPGD (0.62) MAPTKMT2AHPGDALDH1A1POLB
SCHEMBL9196237 0.72 HPGD (0.57) MAPTKMT2AHPGDALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382840-A1 ANTI-INFLAMMATORY COMPOUNDS AMAR SALOMON (US) 2023-11-30 US claimed
CN-103285004-A Substituted benzoate compositions and application thereof in preparation of anti-tuberculosis drugs CHINESE PEOPLE S LIBERATION ARMY NO 309 HOSPITAL 2013-09-11 CN claimed
WO-2011066864-A1 METHOD AND COMPOSITIONS FOR INHIBITION OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2011-06-09 WO claimed
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-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-11767283-B2 Anti-inflammatory compounds AMAR SALOMON (US) 2023-09-26 US disclosed
CN-103285004-B Substituted benzoic acid ester composition and preparing the application in antituberculotics CHINESE PEOPLE'S LIBERATION ARMY NO.309 HOSPITAL (CN) 2016-03-30 CN disclosed
CN-103285004-A Substituted benzoate compositions and application thereof in preparation of anti-tuberculosis drugs CHINESE PEOPLE S LIBERATION ARMY NO 309 HOSPITAL 2013-09-11 CN disclosed
WO-2011066864-A1 METHOD AND COMPOSITIONS FOR INHIBITION OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2011-06-09 WO disclosed
WO-2011066864-A1 METHOD AND COMPOSITIONS FOR INHIBITION OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2011-06-09 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 (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 786/4885HPGD 343/4885
US-11767283-B2 Anti-inflammatory compounds TNF, IL1A, NFKBIA MAPT 4734/4885KMT2A 815/4885HPGD 342/4885

“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.