SCHEMBL6015144

SCHEMBL6015144

CC(C)c1ccc(C=O)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 3/20 0.47
TYR P14679 1/20 0.47
ALDH1A1 P00352 10/20 0.45
ALDH3A1 P30838 1/20 0.45
TSHR P16473 1/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP2A6 P11509 4/20 0.37
AOX1 Q06278 1/20 0.35
TRIM24 O15164 1/20 0.35
HPGD P15428 1/20 0.35
ALDH5A1 P51649 1/20 0.35
ABAT P80404 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6015149 0.84 TYR (0.47) ALDH1A3TYRALDH1A1ALDH3A1TSHR
SCHEMBL9231758 0.81 TYR (0.52) ALDH1A3TYRALDH1A1TSHRRAB9A
SCHEMBL16960506 0.80 ALDH1A1 (0.39) ALDH1A1TSHRPTGS2TDP1MAPT
SCHEMBL16955091 0.80 GABRA1 (0.38) ALDH1A1TSHRPTGS2HPGDNPC1
SCHEMBL29818656 0.78 TYR (0.48) ALDH1A3TYRALDH1A1TSHRRAB9A
SCHEMBL3117644 0.78 TYR (0.48) ALDH1A3TYRALDH1A1TSHRRAB9A
SCHEMBL8031911 0.78 TYR (0.48) ALDH1A3TYRALDH1A1TSHRRAB9A
SCHEMBL28125421 0.77 RECQL (0.34) ALDH1A1NPC1GABRA1GABRB1
SCHEMBL6015171 0.76 TYR (0.47) ALDH1A3TYRALDH1A1TSHRRAB9A
SCHEMBL6015145 0.76 ALDH1A1 (0.57) ALDH1A3TYRALDH1A1ALDH3A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 US disclosed
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 US disclosed
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 US disclosed
EP-4149928-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2023-03-22 EP disclosed
CN-115697974-A Imidazole 3-oxide derivative based ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2023-02-03 CN disclosed
WO-2021229571-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2021-11-18 WO disclosed
WO-2021229571-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2021-11-18 WO disclosed
US-6984740-B2 Symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same MILLIKEN & COMPANY (US) 2006-01-10 US disclosed
EP-1370213-A4 ASYMMETRIC BENZALDEHYDE ALDITOL DERIVATIVES, METHODS OF MAKING THEREOF, AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & CO (US) 2005-01-26 EP disclosed
EP-1425342-A4 NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & CO (US) 2005-01-05 EP disclosed
US-20030127631-A1 Novel symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same ANDERSON JOHN D (US) 2003-07-10 US disclosed
US-6548581-B2 Radiation transparent polyolefin MILLIKEN & COMPANY 2003-04-15 US disclosed
US-6547988-B2 Plastic additives which are useful as nucleating agents and which are especially useful for improving the optical properties of polymeric materials; also useful as gelling agents for water and organic solvents MILLIKEN & COMPANY 2003-04-15 US disclosed
US-20030008951-A1 Novel symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same MILLIKEN & COMPANY 2003-01-09 US disclosed
US-6500964-B2 BY REACTING SUBSTITUTED BENZALDEHYDE(S) WITH ALDITOL(S) SUCH AS SORBITOL MILLIKEN & COMPANY 2002-12-31 US disclosed
US-6486202-B1 Inhibitors of isoprenyl transferase EISAI COMPANY, LIMITED (JP) 2002-11-26 US disclosed
WO-2002079124-A2 METHOD OF PRODUCING HIGH YIELD ALDITOL ACETALS WITH MINERAL ACIDS AND SURFACTANTS MILLIKEN & COMPANY (US) 2002-10-10 WO disclosed
WO-2002077086-A2 NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & COMPANY (US) 2002-10-03 WO disclosed
WO-2002076385-A2 ASYMMETRIC BENZALDEHYDE ALDITOL DERIVATIVES, METHODS OF MAKING THEREOF, AND COMPOSITIONS AND ARTICLES CONTAINING SAME MILLIKEN & COMPANY (US) 2002-10-03 WO disclosed
US-20020137953-A1 Method of producing high yield alditol acetals with mineral acids and surfactants MILLIKEN & COMPANY 2002-09-26 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-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, ADSS2, GLS2 ALDH1A3 538/4885TYR 4479/4885ALDH1A1 210/4885
US-20030008951-A1 Novel symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same ADH1C, ADH1A, ALDOA ALDH1A3 55/4885TYR 1955/4885ALDH1A1 69/4885
US-20020137953-A1 Method of producing high yield alditol acetals with mineral acids and surfactants SORD, ALDOA, DERA ALDH1A3 1159/4885TYR 3337/4885ALDH1A1 1328/4885

“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.