SCHEMBL199270

SCHEMBL199270

C1CCCC(OC2CCCCCCC2)CCC1

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
SCHEMBL198177 1.00 CA1 (0.41) CA1CA2CA12CA9NPC1
SCHEMBL6100779 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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111778165-B Aspergillus niger DFY1 and application thereof 哈尔滨工业大学 2022-10-25 CN claimed
CN-111778165-A Aspergillus niger DFY1 and application thereof 哈尔滨工业大学 2020-10-16 CN claimed
CN-107406443-A Bicyclic compounds as pest control agents 拜耳作物科学股份公司 2017-11-28 CN claimed
CN-107207529-A Bicyclic compounds as pest control agents 拜耳作物科学股份公司 2017-09-26 CN claimed
CN-107207466-A Bicyclic compounds as pest control agents 拜耳作物科学股份公司 2017-09-26 CN claimed
CN-107207490-A Bicyclic compounds as pest control agents 拜耳作物科学股份公司 2017-09-26 CN claimed
EP-3977530-B1 BISPYRANILIDENES, DITHIOBISPYRANILIDENES AND DISELENOBISPYRANILIDENE AND USE THEREOF SENORICS GMBH (DE) 2025-08-13 EP disclosed
EP-3527593-B1 ISOCYANATE COMPOSITION, METHOD FOR PRODUCING ISOCYANATE COMPOSITION, AND METHOD FOR PRODUCING ISOCYANATE POLYMER ASAHI CHEMICAL IND (JP) 2025-07-23 EP disclosed
CN-115244160-B Cold-rolling oil composition for ferritic stainless steel strip and cold-rolling method for ferritic stainless steel strip 杰富意钢铁株式会社 2024-04-02 CN disclosed
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-04-13 US disclosed
US-11548975-B2 Isocyanate composition and method for producing isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-01-10 US disclosed
CN-109790269-B Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer 旭化成株式会社 2022-06-14 CN disclosed
EP-3977530-A1 BISPYRANILIDENES, DITHIOBISPYRANILIDENES AND DISELENOBISPYRANILIDENE AND USE THEREOF Senorics GmbH (DE) 2022-04-06 EP disclosed
US-4988532-A IMPROVING TASTE OF COFFEE WITH SCLAEROLIDE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1991-01-29 US disclosed
US-4966783-A Flavoring icecream or other dairy products INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1990-10-30 US disclosed
US-4960603-A Flavors for seafood INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1990-10-02 US disclosed
US-4917913-A Use of sclareolide in augmenting or enhancing the organoleptic properties of foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1990-04-17 US disclosed
US-4610861-A COBALT, PHOSPHINIC ACID AS EXTRACTANT INCO LIMITED (CA) 1986-09-09 US disclosed
US-4353883-A Selective extraction of cobalt(II) from aqueous solutions with phosphinic acid extractants AMERICAN CYANAMID COMPANY (US) 1982-10-12 US disclosed
US-4231940-A 2-Oxabicyclooctane derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-11-04 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 (2 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-11548975-B2 Isocyanate composition and method for producing isocyanate polymer IDH3A, IDH2, IDH3B CA1 713/4885CA2 671/4885CA12 721/4885
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER IDH3A, IDH2, IDH3B CA1 793/4885CA2 747/4885CA12 739/4885

“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.