SCHEMBL4808086

SCHEMBL4808086

CC(C(=O)c1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.55
AKR1B1 P15121 1/20 0.51
AKR1C3 P42330 12/20 0.50
AKR1C2 P52895 12/20 0.50
MMP9 P14780 1/20 0.49
PTGS2 P35354 3/20 0.49
PTGS1 P23219 2/20 0.49
CDC42 P60953 1/20 0.49
RAC1 P63000 1/20 0.49
CYP1A2 P05177 1/20 0.49
TSHR P16473 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49

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
SCHEMBL30076171 1.00 UGT2B7 (0.55) UGT2B7AKR1B1AKR1C3AKR1C2MMP9
SCHEMBL11538804 0.86 PTGS2 (0.70) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL17583583 0.85 UGT2B7 (0.53) UGT2B7AKR1B1AKR1C3AKR1C2MMP9
SCHEMBL10025981 0.84 AKR1B1 (0.69) UGT2B7AKR1B1AKR1C3AKR1C2PTGS2
SCHEMBL4679446 0.84 AKR1B1 (0.69) UGT2B7AKR1B1AKR1C3AKR1C2PTGS2
SCHEMBL1217681 0.84 AKR1B1 (0.69) UGT2B7AKR1B1AKR1C3AKR1C2PTGS2
SCHEMBL12431128 0.84 AKR1B1 (0.69) UGT2B7AKR1B1AKR1C3AKR1C2PTGS2
SCHEMBL30717241 0.84 AKR1B1 (0.69) UGT2B7AKR1B1AKR1C3AKR1C2PTGS2
SCHEMBL17585039 0.82 TDP1 (0.62) UGT2B7MMP9
Hydrochloric Acid SCHEMBL27401798 0.82 AKR1B1 (0.67) UGT2B7AKR1B1AKR1C3AKR1C2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US claimed
CN-101184711-A Nucleophilic heterocyclic carbene derivatives of pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-05-21 CN claimed
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2006-12-21 US claimed
CN-115385765-B Synthesis method of alkylaryl ketone 南京工业大学 2023-11-10 CN disclosed
CN-115385765-A Synthesis method of alkyl aryl ketone 南京工业大学 2022-11-25 CN disclosed
US-9802894-B2 α-glucosidase inhibitors KING SAUD UNIVERSITY (SA) 2017-10-31 US disclosed
US-20170088516-A1 ALPHA-GLUCOSIDASE INHIBITORS KING SAUD UNIVERSITY (SA) 2017-03-30 US disclosed
US-20160074853-A1 LIGAND, NICKEL COMPLEX COMPRISING THE LIGAND, AND REACTION USING THE NICKEL COMPLEX NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-03-17 US disclosed
US-20160074853-A1 LIGAND, NICKEL COMPLEX COMPRISING THE LIGAND, AND REACTION USING THE NICKEL COMPLEX NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-03-17 US disclosed
WO-2016016414-A1 METHOD FOR CREATING UNCATALYZED CARBON-CARBON BONDS FROM CARBONYLATED COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2016-02-04 WO disclosed
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US disclosed
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US disclosed
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US disclosed
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2006-12-21 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 (3 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-20160074853-A1 LIGAND, NICKEL COMPLEX COMPRISING THE LIGAND, AND REACTION USING THE NICKEL COMPLEX NISCH, DDT, TEC UGT2B7 1159/4885AKR1B1 2477/4885AKR1C3 1151/4885
US-20170088516-A1 ALPHA-GLUCOSIDASE INHIBITORS GBA3, GANAB, GANC UGT2B7 94/4885AKR1B1 354/4885AKR1C3 1005/4885
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions NDC1, DDC, PDCD1LG2 UGT2B7 2800/4885AKR1B1 2093/4885AKR1C3 1190/4885

“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.