SCHEMBL143126

SCHEMBL143126

CCC([C]=O)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
SLC6A4 P31645 1/20 0.41
ACP3 P15309 1/20 0.40
AOC3 Q16853 1/20 0.40
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL8015935 0.90 HPRT1 (0.44) CYP2C9CYP2C19ALDH1A1CYP1A2ACP3
SCHEMBL3225199 0.86 CYP2C9 (0.43) CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4
SCHEMBL11214387 0.84 ALDH1A1 (0.47) CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4
SCHEMBL29061989 0.84 ALDH1A1 (0.47) CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4
SCHEMBL3220283 0.83 ALDH1A1 (0.41) CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4
SCHEMBL11842596 0.82 L3MBTL1 (0.42) CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4
SCHEMBL1612396 0.82 ALDH1A1 (0.46) CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4
SCHEMBL5958310 0.82 ALDH1A1 (0.46) CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4
SCHEMBL6690987 0.78 ALDH1A1 (0.42) ALDH1A1CYP1A2KMT2AHPGDTSHR
SCHEMBL6445070 0.77 AOC3 (0.49) CYP2C9CYP2C19ALDH1A1CYP1A2AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375081-B2 Therapeutic combination of a pneumocandin derivative and an antifungal agent ASTELLAS PHARMA INC. (JP) 2008-05-20 US claimed
US-6875740-B1 Combination of a cyclic hexapeptide with antifungal drugs for treatment of fungal pathogens FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-05 US claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
US-20240084308-A1 FIBROTIC TREATMENT MONASH UNIVERSITY (AU) 2024-03-14 US disclosed
US-20240034845-A1 POLYMER PARTICLES QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2024-02-01 US disclosed
EP-3384549-B1 SODIUM-ION ELECTROLYTE COMPOSITION UNIV DEAKIN (AU) 2024-01-17 EP disclosed
US-11834663-B2 Fibrotic treatment MONASH UNIVERSITY (AU) 2023-12-05 US disclosed
US-20230348674-A1 HYDROGELS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2023-11-02 US disclosed
WO-2023190111-A1 RAFT POLYMERIZATION REACTION SOLUTION AND RAFT POLYMERIZATION REACTION SOLUTION PRODUCTION METHOD テクノUMG株式会社 2023-10-05 WO disclosed
CN-113939544-B non-core-shell polymer particles 悉尼大学 2023-08-22 CN disclosed
EP-0386640-A2 Processes for preparing optically active 3,4-dihydro-3,4-epoxy-2H-1-benzopyran compounds and intermediates therefor YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-09-12 EP disclosed
EP-0360079-A1 Tricyclic compounds, processes for their preparation and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-03-28 EP disclosed
EP-0336230-A2 Cyclic peptide antagonists of Substance P and Substance K FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-11 EP disclosed
US-4576753-A MICROBIOCIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-03-18 US disclosed
US-4472309-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4264498-A REACTED WITH AN ACID, ITS ACID HALIDE, OR ANHYDRIDE IN THE PRESENCE OF BORON TRIHALIDE AND AN ORGANIC BASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-28 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 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-11834663-B2 Fibrotic treatment MMP1, ENPEP, RNPEP CYP2C9 4865/4885CYP2C19 4869/4885ALDH1A1 1883/4885
US-20230348674-A1 HYDROGELS PHYKPL, TST, PHOSPHO1 CYP2C9 2230/4885CYP2C19 2661/4885ALDH1A1 3340/4885
US-20240084308-A1 FIBROTIC TREATMENT MMP1, ENPEP, RNPEP CYP2C9 4865/4885CYP2C19 4869/4885ALDH1A1 1883/4885

“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.