SCHEMBL3276196

SCHEMBL3276196

C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.[Ru]=Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
TRPM8 Q7Z2W7 2/20 0.36
HSP90AA1 P07900 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
IDO1 P14902 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 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
SCHEMBL2868301 1.00 GAA (0.38) GAAPOLBTRPM8HSP90AA1SMN1; SMN2
Hydrochloric Acid SCHEMBL3337845 0.98 GAA (0.37) GAAPOLBTRPM8HSP90AA1SMN1; SMN2
Hydrochloric Acid SCHEMBL4542347 0.98 GAA (0.37) GAAPOLBTRPM8HSP90AA1SMN1; SMN2
SCHEMBL6568409 0.98 GAA (0.39) GAAPOLBTRPM8HSP90AA1SMN1; SMN2
Hydrochloric Acid SCHEMBL4248410 0.80 HSP90AA1 (0.40) GAAPOLBTRPM8HSP90AA1SMN1; SMN2
Hydrochloric Acid SCHEMBL175377 0.79 POLB (0.37) GAAPOLBTRPM8HSP90AA1SMN1; SMN2
Hydrochloric Acid SCHEMBL4542337 0.79 POLB (0.37) GAAPOLBTRPM8HSP90AA1SMN1; SMN2
Iodide SCHEMBL2464728 0.79 POLB (0.37) GAAPOLBTRPM8HSP90AA1SMN1; SMN2
Bromide SCHEMBL2467102 0.79 POLB (0.37) GAAPOLBTRPM8HSP90AA1SMN1; SMN2
Hydrochloric Acid SCHEMBL2064723 0.79 POLB (0.37) GAAPOLBTRPM8HSP90AA1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101172952-B Integrate chemical processes for industrial utilization of seed oils DOW GLOBAL TECHNOLOGIES INC 2013-03-27 CN claimed
CN-101172952-A Integrate chemical processes for industrial utilization of seed oils DOW GLOBAL TECHNOLOGIES INC (US) 2008-05-07 CN claimed
CN-1649822-A Integrated chemical process for industrial application of seed oil DOW GLOBAL TECHNOLOGIES INC (US) 2005-08-03 CN claimed
EP-3368036-B1 MACROCYCLIC PYRIDINE-N-OXIDE DERIVATIVES AS FACTOR XIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-07-20 EP disclosed
CN-114585637-A MASP inhibiting compounds and uses thereof 拜耳公司 2022-06-03 CN disclosed
CN-114437105-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2022-05-06 CN disclosed
US-20220127491-A1 COATING COMPOSITIONS ExxonMobil Product Solutions Company 2022-04-28 US disclosed
CN-109071504-B Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2022-03-08 CN disclosed
US-11179397-B2 Imidazopyrimidine derivatives GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
EP-3894163-A1 COATING COMPOSITIONS Materia, Inc. (US) 2021-10-20 EP disclosed
US-20210317131-A1 OXABICYCLO ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2021-10-14 US disclosed
CN-1968698-A Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE SAN DIEGO INC (US) 2007-05-23 CN disclosed
CN-1935855-A Degradation of nitrile rubbers by metathesis reactions using catalysts LANXESS DEUTSCHLAND GMBH (DE) 2007-03-28 CN disclosed
CN-1809568-A Pyrid (2, 1-a) - isoquinoline derivatives as dpp-iv inhibitors HOFFMANN LA ROCHE (CH) 2006-07-26 CN disclosed
US-20060135512-A1 Aminocycloalkanes as DPP-IV inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-06-22 US disclosed
CN-1774421-A Process for preparing 5-(4- fluorophenyl)- 1-[2r, 4r) -4-hydroxy-6-oxo- tetrahydro-pyran -2-yl) ethyl]-2 -isopropyl -4-phenyl- 1h-pyrrole-3 -carboxylic acid phenylamide WARNER LAMBERT CO (US) 2006-05-17 CN disclosed
CN-1726033-A Treatment of diseases with combinations of alpha 7 nicotinic acetylcholine receptor agonists and other compounds PHARMACIA & UPJOHN CO LLC (US) 2006-01-25 CN disclosed
CN-1649822-A Integrated chemical process for industrial application of seed oil DOW GLOBAL TECHNOLOGIES INC (US) 2005-08-03 CN disclosed
CN-1444481-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2003-09-24 CN disclosed
CN-1197076-A Steroids having contraceptive and anti-osteoporotic activity AKZO NOBEL NV (NL) 1998-10-28 CN 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-20060135512-A1 Aminocycloalkanes as DPP-IV inhibitors DPP4, DPP7, DPP3 GAA 644/4885POLB 4076/4885TRPM8 3252/4885
US-20210317131-A1 OXABICYCLO ACIDS AS LPA ANTAGONISTS LPAR1, LPAR2, LPAR3 GAA 2051/4885POLB 1526/4885TRPM8 769/4885
US-11179397-B2 Imidazopyrimidine derivatives DPYD, KRAS, ABL1 GAA 487/4885POLB 935/4885TRPM8 4307/4885

“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.