SCHEMBL445067

SCHEMBL445067

ICCCCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.70
HPGD P15428 1/20 0.70
ALOX15 P16050 1/20 0.70
ALOX12 P18054 1/20 0.70
CASP1 P29466 1/20 0.70
HSD17B10 Q99714 1/20 0.70
MAOA P21397 1/20 0.58
MAOB P27338 2/20 0.56
SIGMAR1 Q99720 10/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HTR2A P28223 1/20 0.50

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
SCHEMBL11777969 0.97 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL6680538 0.97 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL6379725 0.97 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL3625544 0.97 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL282602 0.97 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL2112457 0.97 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1
Hydrochloric Acid SCHEMBL28408129 0.97 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL6683681 0.97 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL8500856 0.97 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1
Iodide SCHEMBL8499688 0.93 ALDH1A1 (0.61) ALDH1A1HPGDALOX15ALOX12CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116406213-A Chemical method for inhibiting ion diffusion in perovskite battery 华东理工大学 2023-07-07 CN claimed
CN-113264850-A Synthetic method of nootropic ketonic A 安徽农业大学 2021-08-17 CN claimed
CN-114805108-B Preparation method of chiral beta-alkylamide compound 南方科技大学 2023-12-26 CN disclosed
US-20230271988-A1 METHOD FOR PRODUCING ORGANOMETALLIC NUCLEOPHILE AND REACTION METHOD USING ORGANOMETALLIC NUCLEOPHILE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2023-08-31 US disclosed
EP-4219457-A1 3-(2H)-PYRIDAZINONE DERIVATIVES, THEIR COMPOSITIONS AND METHODS FOR VIRAL SENSITIZATION Ottawa Hospital Research Institute (CA) 2023-08-02 EP disclosed
WO-2023110154-A1 METHOD FOR PRODUCING A HIGHLY ABRASION-RESISTANT, COATED MATERIAL WITH A CONVERSION LAYER ON AN, IN PARTICULAR STRIP-SHAPED, ALUMINIUM SUBSTRATE ALANOD GMBH & CO. KG (DE) 2023-06-22 WO disclosed
CN-114805108-A Preparation method of chiral beta-alkyl amide compound 南方科技大学 2022-07-29 CN disclosed
US-11339146-B2 Compositions and methods for viral sensitization Ottawa Hospital Research Institute and University of Ottawa (CA) 2022-05-24 US disclosed
CN-113264850-A Synthetic method of nootropic ketonic A 安徽农业大学 2021-08-17 CN disclosed
EP-3523297-B1 NOVEL FURAZAN-3-CARBOXYLIC ACID DERIVATIVES AND USE THEREOF IN TREATMENT OF CANCER UNIV BERLIN FREIE (DE) 2021-07-07 EP disclosed
US-20200354351-A1 COMPOSITIONS AND METHODS FOR VIRAL SENSITIZATION OTTAWA HOSPITAL RESEARCH INSTITUTE (CA) 2020-11-12 US disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed
US-5455260-A Anticholesterol agents; reduction of serum cholesterol without reducing mevalonic metabolite synthesis; side effect RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-10-03 US disclosed
WO-1994027601-A1 ALIPHATIC AMINO BIS-ARYL SQUALENE SYNTHASE INHIBITORS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-12-08 WO disclosed
WO-1994003168-A1 5 S PENEM DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 1994-02-17 WO disclosed
US-4920221-A CENTRAL NERVOUS SYSTEM ACTIVE AGENTS PFIZER INC. (US) 1990-04-24 US disclosed
US-4642373-A Substituted dodecahydrotripheylenes, and decahydropyrrolo[1,2-f]phenanthridines as CNS agents PFIZER INC. (US) 1987-02-10 US disclosed
US-4576964-A ANALGESICS, ANTIEMETICS PFIZER INC. (US) 1986-03-18 US disclosed
US-4476131-A ANTIEMETICS, ANALGESICS PFIZER INC. (US) 1984-10-09 US disclosed
US-4473704-A ANALGESICS, ANTIEMETICS PFIZER INC. (US) 1984-09-25 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-20230271988-A1 METHOD FOR PRODUCING ORGANOMETALLIC NUCLEOPHILE AND REACTION METHOD USING ORGANOMETALLIC NUCLEOPHILE HPD, TALDO1, OGG1 ALDH1A1 1554/4885HPGD 166/4885ALOX15 380/4885
US-11339146-B2 Compositions and methods for viral sensitization CD4, CD74, HLA-DRB1 ALDH1A1 3190/4885HPGD 3340/4885ALOX15 1694/4885
US-20200354351-A1 COMPOSITIONS AND METHODS FOR VIRAL SENSITIZATION CD4, CD74, HAVCR2 ALDH1A1 4002/4885HPGD 4356/4885ALOX15 2604/4885

“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.