SCHEMBL185541

SCHEMBL185541

CCCOc1[c]c(OCCC)ccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MCHR1 Q99705 1/20 0.37
LTA4H P09960 2/20 0.36
CYP2A6 P11509 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CHRM2 P08172 2/20 0.34
LMNA P02545 1/20 0.34
CHRM1 P11229 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ACHE P22303 1/20 0.34
KCNH2 Q12809 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL677726 0.88 LTA4H (0.45) MCHR1LTA4HSMN1; SMN2MAPTNPC1
SCHEMBL7312275 0.87 KMT2A (0.35) KMT2AMCHR1LTA4HCYP2A6SMN1; SMN2
SCHEMBL677039 0.86 TSHR (0.46) KMT2AMCHR1LTA4HMAPTMAPK1
SCHEMBL25172614 0.86 KMT2A (0.34) KMT2AMCHR1LTA4HCYP2A6SMN1; SMN2
SCHEMBL159542 0.86 KMT2A (0.34) KMT2AMCHR1LTA4HCYP2A6SMN1; SMN2
SCHEMBL5983957 0.85 TSHR (0.49) KMT2AMCHR1LTA4HMAPTMEN1
SCHEMBL1451918 0.85 TSHR (0.49) KMT2AMCHR1LTA4HMAPTMEN1
SCHEMBL3597737 0.85 TSHR (0.49) KMT2AMCHR1LTA4HMAPTMEN1
SCHEMBL4314445 0.83 LTA4H (0.33) KMT2AMCHR1LTA4HSMN1; SMN2MAPT
SCHEMBL7314203 0.82 KMT2A (0.33) KMT2AMCHR1LTA4HCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102822180-B Metal Ligand Complexes and Catalysts 陶氏环球技术有限责任公司 2016-06-15 CN claimed
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-2006093965-A2 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2006-09-08 WO 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-11655360-B2 Gas-barrier resin composition and use thereof SHOWA DENKO K.K. (JP) 2023-05-23 US disclosed
US-11548984-B2 Light- or heat-curing method and curable resin composition FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2023-01-10 US disclosed
CN-110678500-B Photo-or thermosetting method and curable resin composition 富士胶片和光纯药株式会社 2022-10-14 CN disclosed
CN-110799600-B Gas barrier resin composition and use thereof 昭和电工株式会社 2022-06-21 CN disclosed
CN-108602955-B Photocuring method, compound used in photocuring method, and composition 富士胶片和光纯药株式会社 2021-08-06 CN disclosed
US-20210147669-A1 GAS-BARRIER RESIN COMPOSITION AND USE THEREOF SHOWA DENKO K.K. (JP) 2021-05-20 US disclosed
CN-107848963-B Acid-resistant alkali-producing agent and/or radical-producing agent, and curable resin composition containing same 富士胶片和光纯药株式会社 2020-11-03 CN disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed
EP-0583971-A1 Piperidine derivatives SANKYO COMPANY LIMITED (JP) 1994-02-23 EP disclosed
US-5243079-A Hexakis phosphine catalyst SHELL OIL COMPANY (US) 1993-09-07 US disclosed
US-5115094-A Continuous polymerization of carbon monoxide and olefin in the presence of a palladium catalyst SHELL OIL COMPANY (US) 1992-05-19 US disclosed
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP disclosed
US-5059676-A POLYMERS OF CARBON MONOXIDE AND BICYCLIC UNSATURATED CARBOXYLIC ACID COMPOUND SHELL OIL COMPANY (US) 1991-10-22 US disclosed
US-4169106-A Antiarrhythmic N,N'-bis(phenylcarbamoylalkyl)amidines COOPER LABORATORIES, INC. (US) 1979-09-25 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 2311/4885MCHR1 3868/4885LTA4H 3092/4885
US-20090044863-A1 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF SLC18A3, CORO1C, SLC18A1 KMT2A 4342/4885MCHR1 3509/4885LTA4H 2304/4885

“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.