SCHEMBL6100779

SCHEMBL6100779

C1CCCC(OC2CCCCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
NPC1 O15118 1/20 0.36
EPHX1 P07099 2/20 0.35
ACHE P22303 1/20 0.35
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL9725970 1.00 CA1 (0.41) CA1CA2CA12CA9NPC1
SCHEMBL199270 1.00 CA1 (0.41) CA1CA2CA12CA9NPC1
SCHEMBL198177 1.00 CA1 (0.41) CA1CA2CA12CA9NPC1
SCHEMBL6333537 1.00 CA1 (0.41) CA1CA2CA12CA9NPC1
SCHEMBL10775019 1.00 CA1 (0.41) CA1CA2CA12CA9NPC1
SCHEMBL5640745 1.00 CA1 (0.41) CA1CA2CA12CA9NPC1
SCHEMBL23581147 0.96 CA1 (0.39) CA1CA2CA12CA9NPC1
SCHEMBL106379 0.96 CA1 (0.39) CA1CA2CA12CA9NPC1
SCHEMBL108021 0.96 CA1 (0.39) CA1CA2CA12CA9NPC1
SCHEMBL11615689 0.96 CA1 (0.39) CA1CA2CA12CA9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115517261-A Composition containing halauxifen-methyl, preparation method and application thereof 安徽省四达农药化工有限公司 2022-12-27 CN claimed
CN-110708956-B Microcapsules comprising cycloheptanether and polyurea derived from diphenylmethane diisocyanate or an oligomer thereof in the core 巴斯夫农业公司 2022-10-04 CN claimed
CN-114158562-A Weeding composition and application thereof 江苏明德立达作物科技有限公司 2022-03-11 CN claimed
CN-120130475-A Use of biphenyl sulfide-containing compound or composition thereof for improving stress resistance of plants 海利尔药业集团股份有限公司 2025-06-13 CN disclosed
CN-120130476-A Application of diphenyl sulfide-containing compound in preventing and treating sunscald disease of crops 海利尔药业集团股份有限公司 2025-06-13 CN disclosed
CN-111356684-B Herbicidal pyridyl ethers 巴斯夫欧洲公司 2025-03-28 CN disclosed
CN-119120607-A Method for improving yield of L-glufosinate 巴斯夫欧洲公司 2024-12-13 CN disclosed
US-20240294520-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2024-09-05 US disclosed
CN-118318839-A Use of substituted phenylamide isoxazoline compound for controlling thysanoptera pests 海利尔药业集团股份有限公司 2024-07-12 CN disclosed
CN-118290356-A Substituted benzil isoxazoline compound and application of preparation containing substituted benzil isoxazoline compound in preventing and controlling harmful mites and reducing reproductive power of harmful mites 海利尔药业集团股份有限公司 2024-07-05 CN disclosed
CN-118266462-A Water-soluble pesticide composition containing cycloheptyl ether 安徽省四达农药化工有限公司 2024-07-02 CN disclosed
EP-0750658-A1 CLEANER BURNING AND CETANE ENHANCING DIESEL FUEL SUPPLEMENTS Olah, George Andrew (US) 1997-01-02 EP disclosed
EP-0750658-A4 CLEANER BURNING AND CETANE ENHANCING DIESEL FUEL SUPPLEMENTS OLAH GEORGE A (US) 1996-11-12 EP disclosed
US-5520710-A Cleaner burning and cetane enhancing diesel fuel supplements Olah, George A. (US) 1996-05-28 US disclosed
US-5475021-A Administering N-substituted succinimides VANDERBILT UNIVERSITY (US) 1995-12-12 US disclosed
WO-1995025153-A1 CLEANER BURNING AND CETANE ENHANCING DIESEL FUEL SUPPLEMENTS OLAH GEORGE A (US) 1995-09-21 WO disclosed
WO-1995015163-A1 NOVEL COMPOUNDS FOR INHIBITION OF CYCLOOXYGENASE ACTIVITY VANDERBILT UNIVERSITY (US) 1995-06-08 WO disclosed
EP-0388188-A1 Benzoxepin derivatives SUNTORY LIMITED (JP) 1990-09-19 EP disclosed
US-4148984-A TRIALKYLALUMINUM WITH ALKALI METAL COMPOUNDS THE FIRESTONE TIRE & RUBBER COMPANY (US) 1979-04-10 US disclosed
US-4107081-A TRIHYDROCARBYLALUMINUM COMPOUNDS WITH ALKALI METAL COMPOUNDS THE FIRESTONE TIRE & RUBBER COMPANY (US) 1978-08-15 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 (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-20240294520-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE ITGA2B, ITGB6, ITGB1 CA1 4313/4885CA2 4198/4885CA12 3569/4885

“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.