SCHEMBL2512871

SCHEMBL2512871

COc1ccc(C2(C=O)C=CC=CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CYP2A6 P11509 1/20 0.38
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34
HSD11B1 P28845 1/20 0.34
POLB P06746 1/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
PIM1 P11309 1/20 0.33
AKR1B1 P15121 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
GRIN1 Q05586 1/20 0.33

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
SCHEMBL1049928 0.79 ESR1 (0.33)
SCHEMBL1545795 0.77 ALDH1A1 (0.43) ALDH1A1MAOBCA1CA2CA12
SCHEMBL28479057 0.72 MAOB (0.39) ALDH1A1MAOBMAOACA1CA2
SCHEMBL23398625 0.72 PDE4D (0.38) ALDH1A1OPRM1POLBNPC1RAB9A
SCHEMBL23400526 0.72 OPRM1 (0.39) ALDH1A1CA9OPRM1POLBNPC1
SCHEMBL27927924 0.72 HSD11B1 (0.40) ALDH1A1MAOBMAOACA1CA2
SCHEMBL21333887 0.71 HSD11B1 (0.39) ALDH1A1MAOBMAOACA1CA2
SCHEMBL22884515 0.71 ACHE (0.39) ALDH1A1CYP2A6MAOBMAOAPOLB
SCHEMBL28464113 0.70 MAOB (0.37) MAOBMAOACA1CA2CA12
SCHEMBL29024785 0.69 MAOB (0.39) MAOBMAOACA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220257484-A1 WHOLE MOUTH MALADOR CONTROL BY A COMBINATION OF ANTIBACTERIAL AND DEODORIZING AGENTS PROCTER & GAMBLE (US) 2022-08-18 US disclosed
EP-2553444-B1 WHOLE MOUTH MALODOR CONTROL BY A COMBINATION OF ANTIBACTERIAL AND DEODORIZING AGENTS PROCTER & GAMBLE (US) 2018-09-26 EP disclosed
CN-103154726-B Overall oral malodor is controlled by the combination of antiseptic and deodorant THE PROCTER & GAMBLE CO. (US) 2015-12-09 CN disclosed
US-20110239736-A1 Whole Mouth Malador Control By A Combination Of Antibacterial And Deodorizing Agents THE PROCTER & GAMBLE COMPANY 2011-10-06 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 (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-20220257484-A1 WHOLE MOUTH MALADOR CONTROL BY A COMBINATION OF ANTIBACTERIAL AND DEODORIZING AGENTS OR10J3, HDAC10, RPP30 ALDH1A1 200/4885CYP2A6 639/4885MAOB 3150/4885
US-20110239736-A1 Whole Mouth Malador Control By A Combination Of Antibacterial And Deodorizing Agents OR10J3, HDAC10, RPP30 ALDH1A1 200/4885CYP2A6 639/4885MAOB 3150/4885

“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.