SCHEMBL873616

SCHEMBL873616

CC(O)COCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.61
CA2 P00918 2/20 0.61
CA7 P43166 2/20 0.61
CA9 Q16790 2/20 0.61
KMT2A Q03164 1/20 0.57
TSHR P16473 1/20 0.56
LMNA P02545 1/20 0.53
HTT P42858 2/20 0.51
TACR1 P25103 3/20 0.50
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.48
SLC1A1 P43005 1/20 0.47

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
SCHEMBL1096291 1.00 CA1 (0.61) CA1CA2CA7CA9KMT2A
SCHEMBL2181772 1.00 CA1 (0.61) CA1CA2CA7CA9KMT2A
SCHEMBL12172300 0.90 CA1 (0.51) CA1CA2CA7CA9KMT2A
SCHEMBL872641 0.87 CA1 (0.53) CA1CA2CA7CA9KMT2A
SCHEMBL30405611 0.86 CA1 (0.56) CA1CA2CA7CA9KMT2A
SCHEMBL2781953 0.86 CA1 (0.51) CA1CA2CA7CA9KMT2A
Isopropyl Alcohol SCHEMBL29076646 0.85 TSHR (0.71) CA1CA2CA7CA9KMT2A
SCHEMBL25032346 0.84 KMT2A (0.62) CA1CA2CA7CA9KMT2A
SCHEMBL12552888 0.84 KMT2A (0.58) CA1CA2CA7CA9KMT2A
SCHEMBL9480893 0.84 KMT2A (0.62) CA1CA2CA7CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436153-B1 None US claimed
US-20230295203-A1 METAL ORGANIC COMPOUNDS UMICORE AG & CO. KG (DE) 2023-09-21 US claimed
US-20230192736-A1 ORGANOMETALLIC COMPOUNDS UMICORE AG & CO. KG (DE) 2023-06-22 US claimed
EP-4126889-A1 METAL ORGANIC COMPOUNDS Umicore AG & Co. KG (DE) 2023-02-08 EP claimed
EP-4126890-A1 ORGANOMETALLIC COMPOUNDS Umicore AG & Co. KG (DE) 2023-02-08 EP claimed
CN-115315428-A Metal organic compound 优美科股份公司及两合公司 2022-11-08 CN claimed
CN-115244062-A Metal organic compound 优美科股份公司及两合公司 2022-10-25 CN claimed
US-11424006-B2 Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide PSOMAGEN, INC. (US) 2022-08-23 US claimed
US-11193079-B2 Glycol ether neo-esters, lubricating oil compositions containing same and processes for making same EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2021-12-07 US claimed
US-20210128498-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE MACROGEN INC. (KR) 2021-05-06 US claimed
US-6436153-B2 FREE OF OXIDASES AND OXIDOREDUCTASES; HAIR DYE L'ORéAL S.A. (FR) 2002-08-20 US claimed
US-20020046431-A1 Composition for the oxidation dyeing of keratinous fibers comprising at least one oxidation dye and at least one cationic amphiphilic polymer, and dyeing methods LAURENT FLORENCE (FR) 2002-04-25 US claimed
US-6371994-B2 HAIR DYES L'OREAL S.A. (FR) 2002-04-16 US claimed
US-20020013971-A1 OXIDATION DYEING COMPOSITION FOR KERATIN FIBRES MAUBRU MIREILLE (FR) 2002-02-07 US claimed
US-20020004955-A1 DYE COMPOSITION FOR KERATIN FIBERS, WITH A CATIONIC DIRECT DYE AND A POLYOL OR POLYOL ETHER L' OREAL S.A. 2002-01-17 US claimed
US-20020002748-A1 COMPOSITION FOR THE DIRECT DYEING OF KERATIN FIBRES WITH A CATIONIC DIRECT DYE AND A POLYOL AND/OR A POLYOL ETHER L'OREAL S.A. 2002-01-10 US claimed
WO-2001094513-A1 BIOCIDAL CLEANER COMPOSITION S. C. JOHNSON & SON, INC. (US) 2001-12-13 WO claimed
EP-0572910-B1 Polysaccharide ether dialysis membrane AKZO NOBEL NV (NL) 1996-06-26 EP claimed
US-5427684-A Biocompatibility; damage to blood cells minimized AKZO NV (NL) 1995-06-27 US claimed
EP-0572910-A1 Polysaccharide ether dialysis membrane Akzo Nobel N.V. (NL) 1993-12-08 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 (8 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-20230295203-A1 METAL ORGANIC COMPOUNDS SCO2, MLX, PYM1 CA1 904/4885CA2 489/4885CA7 351/4885
US-11424006-B2 Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide PNMT, MAOA, HNMT CA1 1029/4885CA2 483/4885CA7 434/4885
US-20210128498-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE MAOA, PNMT, HNMT CA1 307/4885CA2 161/4885CA7 171/4885
US-20020013971-A1 OXIDATION DYEING COMPOSITION FOR KERATIN FIBRES KRT18, COX6C, MT-CO1 CA1 1166/4885CA2 1137/4885CA7 299/4885
US-11193079-B2 Glycol ether neo-esters, lubricating oil compositions containing same and processes for making same ELOVL5, ELOVL1, NAPEPLD CA1 2792/4885CA2 4715/4885CA7 1777/4885
US-20020004955-A1 DYE COMPOSITION FOR KERATIN FIBERS, WITH A CATIONIC DIRECT DYE AND A POLYOL OR POLYOL ETHER KRT18, KRTCAP2, DSG1 CA1 3004/4885CA2 2465/4885CA7 615/4885
US-20020002748-A1 COMPOSITION FOR THE DIRECT DYEING OF KERATIN FIBRES WITH A CATIONIC DIRECT DYE AND A POLYOL AND/OR A POLYOL ETHER KRT18, COXFA4L2, CKMT1A; CKMT1B CA1 1479/4885CA2 1788/4885CA7 536/4885
US-20020046431-A1 Composition for the oxidation dyeing of keratinous fibers comprising at least one oxidation dye and at least one cationic amphiphilic polymer, and dyeing methods KRT18, ACAD10, OAT CA1 2759/4885CA2 2589/4885CA7 1035/4885

“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.