SCHEMBL809192

SCHEMBL809192

COc1ccccc1C[Mg]Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
TAAR1 Q96RJ0 1/20 0.52
CHRM2 P08172 4/20 0.50
CHRM1 P11229 1/20 0.50
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
CA4 P22748 1/20 0.48
CA14 Q9ULX7 1/20 0.48
SIGMAR1 Q99720 1/20 0.46
AOC3 Q16853 1/20 0.46
GRIN1 Q05586 3/20 0.44
GRIN2A Q12879 3/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44

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
SCHEMBL31737574 1.00 IDO1 (0.52) IDO1TAAR1CHRM2CHRM1ALDH1A1
SCHEMBL15311922 0.83 IDO1 (0.55) IDO1TAAR1CHRM2CHRM1ALDH1A1
SCHEMBL1093645 0.81 IDO1 (0.53) IDO1TAAR1CHRM2CHRM1ALDH1A1
SCHEMBL31737743 0.81 IDO1 (0.53) IDO1TAAR1CHRM2CHRM1ALDH1A1
SCHEMBL2908417 0.80 L3MBTL1 (0.55) ALDH1A1GAAMAPTGRIN1L3MBTL1
SCHEMBL5249922 0.79 IDO1 (0.52) IDO1TAAR1CHRM2CHRM1ALDH1A1
SCHEMBL5248188 0.79 SLC6A2 (0.40) ALDH1A1MAPTACHELMNASMN1; SMN2
SCHEMBL2904501 0.79 SLC6A2 (0.43) ALDH1A1KDM4E
SCHEMBL6935700 0.76 HRH1 (0.55) ALDH1A1GAALMNAL3MBTL1
SCHEMBL5245595 0.76 CACNA1G (0.39) ALDH1A1GAAMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 WO claimed
JP-57074306-A None JP disclosed
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 WO disclosed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
US-11701373-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-07-18 US disclosed
US-11648243-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-05-16 US disclosed
EP-4144735-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS Array Biopharma, Inc. (US) 2023-03-08 EP disclosed
US-20220331346-A1 SUBSTITUTED BICYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2022-10-20 US disclosed
US-20220313676-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2022-10-06 US disclosed
EP-3523302-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2022-07-20 EP disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
US-6861566-B2 Process for producing 1-chloro-4-arylbutane SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-03-01 US disclosed
US-20050043301-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-24 US disclosed
US-20040097763-A1 Process for producing 1-chloro-4-arylbutane SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-05-20 US disclosed
WO-2004033466-A1 OXYGEN-CONTAINING ORGANOALUMINUM COMPLEXES USED AS COCATALYSTS MERCK PATENT GMBH (DE) 2004-04-22 WO disclosed
WO-2004009603-A1 DIHYDRO-DIBENZO[B,E]OXEPINE BASED SELECTIVE ESTROGEN RECEPTOR MODULATORS, COMPOSITIONS AND METHODS ELI LILLY AND COMPANY (US) 2004-01-29 WO disclosed
EP-1369405-A1 PROCESS FOR PRODUCING 1-CHLORO-4-ARYLBUTANE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-10 EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
US-4411913-A OTHER SPIRO COMPOUNDS, CARDIOVASCULAR DISORDERS, HYPOTENSIVE, ANTIEDEMIC, ANTILIPEMIC, HYPOGLYCEMIC, ANOREXIGENIC SANDOZ LTD. (CH) 1983-10-25 US disclosed
JP-S5774306-A PRODUCTION OF POLYOLEFIN NIPPON OIL CO LTD 1982-05-10 JP 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 (7 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-20050043301-A1 Substituted heterocyclic compounds and methods of use MYLK2, MYLK, MCL1 IDO1 520/4885TAAR1 3133/4885CHRM2 117/4885
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 IDO1 1289/4885TAAR1 319/4885CHRM2 581/4885
US-20220331346-A1 SUBSTITUTED BICYCLIC COMPOUNDS S1PR1, S1PR3, S1PR2 IDO1 786/4885TAAR1 179/4885CHRM2 162/4885
US-11648243-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 IDO1 4158/4885TAAR1 1974/4885CHRM2 2821/4885
US-11701373-B2 Substituted bicyclic compounds S1PR1, S1PR3, S1PR2 IDO1 786/4885TAAR1 179/4885CHRM2 162/4885
US-20220313676-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 IDO1 4158/4885TAAR1 1974/4885CHRM2 2821/4885
US-20040097763-A1 Process for producing 1-chloro-4-arylbutane CYP1B1, CBR1, CYP1A1 IDO1 114/4885TAAR1 77/4885CHRM2 1742/4885

“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.