SCHEMBL148446

SCHEMBL148446

[H-].c1ccc([Al+]c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 3/20 0.39
TSHR P16473 5/20 0.37
TDP1 Q9NUW8 5/20 0.37
ALOX12 P18054 3/20 0.37
ALOX15 P16050 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
MAPK1 P28482 1/20 0.37
PTGS2 P35354 1/20 0.37
HTR2B P41595 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
GLA P06280 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL1228647 0.92 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRTDP1ALOX12
Hydrochloric Acid SCHEMBL150126 0.92 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRTDP1ALOX12
Iodide SCHEMBL2166396 0.92 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRTDP1ALOX12
Fluoride Ion SCHEMBL1538989 0.92 ALDH1A1 (0.47) ALDH1A1HSD17B10TSHRTDP1ALOX12
Bromide SCHEMBL1538842 0.92 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRTDP1ALOX12
Water SCHEMBL11465852 0.89 ALDH1A1 (0.37) ALDH1A1HSD17B10TSHRTDP1ALOX12
SCHEMBL8511868 0.86 TSHR (0.37) ALDH1A1HSD17B10TSHRTDP1ALOX12
SCHEMBL8512791 0.86 TSHR (0.37) ALDH1A1HSD17B10TSHRTDP1ALOX12
SCHEMBL8515352 0.83 TSHR (0.35) ALDH1A1HSD17B10TSHRTDP1ALOX12
Phenol SCHEMBL8514977 0.81 ALDH1A1 (0.32) ALDH1A1HSD17B10TSHRTDP1ALOX12

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 1396 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4032921-B1 METHOD FOR PREPARING MODIFIED CONJUGATED DIENE-BASED POLYMER LG CHEMICAL LTD (KR) 2025-08-27 EP claimed
CN-116082550-B Cycloolefin copolymer based on dicyclopentadiene and preparation method thereof 中国科学院长春应用化学研究所 2025-06-24 CN claimed
CN-120157794-A Cycloolefin copolymer and preparation method thereof 万华化学集团股份有限公司 2025-06-17 CN claimed
CN-119638893-A Polar 3, 4-isoprene rubber with self-repairing function and preparation method thereof 东北师范大学 2025-03-18 CN claimed
CN-114174354-B Process for producing modified conjugated diene polymer 株式会社LG化学 2024-10-01 CN claimed
CN-118108879-A Supported catalyst and preparation method and application thereof 湖南立为新材料有限公司 2024-05-31 CN claimed
CN-118108881-A Polypropylene with wide molecular weight distribution and preparation method thereof 湖南立为新材料有限公司 2024-05-31 CN claimed
CN-118108884-A Preparation method of alpha-olefin polymer 湖南立为新材料有限公司 2024-05-31 CN claimed
US-11746167-B2 Process for the preparation of polyisoprene with a mainly alternating cis-1,4- alt-3,4 structure in the presence of a catalytic system comprising a pyridyl iron complex VERSALIS S.P.A. (IT) 2023-09-05 US claimed
CN-116675597-A Method for synthesizing cyclohexenone derivative from alkoxy propylene 万华化学集团股份有限公司 2023-09-01 CN claimed
US-20030065114-A1 Synthesis of elastomeric high trans-1,4-polybutadiene THE GOODYEAR TIRE & RUBBER COMPANY 2003-04-03 US claimed
EP-1201687-A1 Synthesis of elastomeric high trans-1,4-polybutadiene THE GOODYEAR TIRE & RUBBER COMPANY (US) 2002-05-02 EP claimed
US-6310152-B1 CATALYTIC ADDITION POLYMERIZATION OF BUTADIENE USING ORGANOALUMINUM, ORGANOCOBALT AND PHENOL COMPOUND THE GOODYEAR TIRE & RUBBER COMPANY 2001-10-30 US claimed
EP-0879833-A1 Synthesis of trans-1,4-polybutadiene THE GOODYEAR TIRE & RUBBER COMPANY (US) 1998-11-25 EP claimed
US-5834573-A POLYMERIZING 1,3-BUTADIENE IN THE PRESENCE OF A COBALT(III) ACETYLACETONATE, ORGANOALUMINUM COMPOUND, AND PARA-ALKYL-PHENOL CATALYST SYSTEM; GEL-FREE, MOLECULAR WEIGHT CONTROL; CARBON DISULFIDE ABSENT; TIRES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1998-11-10 US claimed
WO-1997023521-A1 TRANS MICROSTRUCTURE DIRECTING INITIATOR SYSTEM THE GOODYEAR TIRE & RUBBER COMPANY (US) 1997-07-03 WO claimed
US-5451646-A P-styrenated diphenylamine, nickel, aluminum, fluorine catalyst THE GOODYEAR TIRE & RUBBER COMPANY (US) 1995-09-19 US claimed
US-4810397-A ALUMINUM COMPOUND, ACID, THIADIAZOLE OR TRIAZOLE UNION OIL COMPANY OF CALIFORNIA (US) 1989-03-07 US claimed
US-4719001-A ALUMINUM COMPOUND AND THIADIAZOLE DERIVATIVE UNION OIL COMPANY OF CALIFORNIA (US) 1988-01-12 US claimed
US-4663405-A ADDITION POLYMERIZATION COORDINATION CATALYSTS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1987-05-05 US 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 (1 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-11746167-B2 Process for the preparation of polyisoprene with a mainly alternating cis-1,4- alt-3,4 structure in the presence of a catalytic system comprising a pyridyl iron complex AOC3, AOC2, C5 ALDH1A1 2178/4885HSD17B10 1104/4885TSHR 100/4885

“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.