SCHEMBL1404367

SCHEMBL1404367

CCCOc1[c]ccc(OCCC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
LTA4H P09960 1/20 0.39
MAPT P10636 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37

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
SCHEMBL9725912 0.93 NQO1 (0.40) KMT2ACA12CA1CA2CA7
SCHEMBL677451 0.91 LTA4H (0.43) KMT2ACA12CA1CA2CA7
SCHEMBL6554584 0.89 TUBB4A (0.39) KMT2ALTA4HTUBB4ATUBBTUBA3C
SCHEMBL677235 0.89 TSHR (0.47) LTA4HNR1H4TSHRGPBAR1
SCHEMBL2092766 0.87 TSHR (0.50) LTA4HTSHR
SCHEMBL20819713 0.87 TSHR (0.50) LTA4HTSHR
SCHEMBL1664744 0.87 TSHR (0.50) LTA4HTSHR
SCHEMBL20819716 0.87 TSHR (0.50) LTA4HTSHR
SCHEMBL1452222 0.87 TSHR (0.50) LTA4HTSHR
SCHEMBL9167272 0.87 TSHR (0.50) LTA4HTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039625-B2 Coronene charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2011-10-18 US claimed
US-20090044863-A1 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF NATIONAL SCIENCE FOUNDATION 2009-02-19 US claimed
US-20080223444-A1 Perylene Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof GEORGIA TECH RESEARCH CORPORATION 2008-09-18 US claimed
WO-2005124453-A2 PERYLENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2005-12-29 WO claimed
US-6015907-A PHOTOSTABLE IMAGING DYES FOR ACID-MEDIATED MEDIA, ALSO FOR PHOTOSENSITIZING ONIUM SALTS TO VISIBLE BLUE RADIATION POLAROID CORPORATION (US) 2000-01-18 US claimed
US-11655360-B2 Gas-barrier resin composition and use thereof SHOWA DENKO K.K. (JP) 2023-05-23 US disclosed
CN-110799600-B Gas barrier resin composition and use thereof 昭和电工株式会社 2022-06-21 CN disclosed
US-20210147669-A1 GAS-BARRIER RESIN COMPOSITION AND USE THEREOF SHOWA DENKO K.K. (JP) 2021-05-20 US disclosed
EP-3660105-A1 GAS-BARRIER RESIN COMPOSITION AND USE THEREOF Showa Denko K.K. (JP) 2020-06-03 EP disclosed
CN-102816130-B Thiazole compound and use thereof OTSUKA PHARMA CO LTD 2015-05-06 CN disclosed
US-8450352-B2 Thiazole compounds and their use for inhibiting phosphodiesterase 4, TNF-α, and IL-4 OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-05-28 US disclosed
CN-101035788-B Process for the preparation of halogenated rylen-carboximides by halogenation of rylene-carboximides with elemental halogen in a two-phase mixture comprising an organic solvent and water BASF AG 2013-01-23 CN disclosed
US-5144039-A Reducing prochiral ketone with metal borohydride modified with optically active amino alcohol in presence of ether or sulfide SUMITOMO ELECTRIC COMPANY, LIMITED (JP) 1992-09-01 US disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP disclosed
US-5028610-A Calcium Channel Blockers SANKYO COMPANY LIMITED (JP) 1991-07-02 US disclosed
EP-0381434-A1 Process for producing optically active alcohol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-08-08 EP disclosed
EP-0283310-A1 N-Benzhydryl-substituted heterocyclic derivatives, their preparation and their use Sankyo Company Limited (JP) 1988-09-21 EP disclosed
US-4110332-A PESTICIDES CHEVRON RESEARCH COMPANY (US) 1978-08-29 US disclosed
US-4098896-A FUNGICIDES CHEVRON RESEARCH COMPANY (US) 1978-07-04 US disclosed
US-3958000-A Fungicidal 2-arylthio-, 2-alkylthio- and 2-haloalkylthio-1,2,4-oxadiazolidine-3,5-diones CHEVRON RESEARCH COMPANY (US) 1976-05-18 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-20080223444-A1 Perylene Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof SLC43A1, SLC3A2, SLC16A3 KMT2A 2311/4885CA12 200/4885CA1 426/4885
US-20090044863-A1 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF SLC18A3, CORO1C, SLC18A1 KMT2A 4342/4885CA12 81/4885CA1 645/4885

“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.