SCHEMBL3607268

SCHEMBL3607268

CCCC(=O)OCC(Cl)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.46
LMNA P02545 3/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.43
DUSP3 P51452 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PRKCA P17252 3/20 0.41
PRKCE Q02156 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 1/20 0.41
DGKA P23743 1/20 0.39
LPAR6 P43657 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR4 Q99677 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38

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
SCHEMBL27290487 0.85 MAPT (0.38) ALDH1A1MAPTLMNATSHRCYP3A4
SCHEMBL27525587 0.85 MAPT (0.65) ALDH1A1MAPTLMNATSHRCYP3A4
SCHEMBL10837142 0.84 MAPT (0.48) ALDH1A1MAPTLMNATSHRCYP3A4
SCHEMBL27471028 0.84 MAPT (0.62) ALDH1A1MAPTLMNATSHRCYP3A4
SCHEMBL10835316 0.83 TSHR (0.46) ALDH1A1MAPTLMNATSHRCYP3A4
SCHEMBL10835334 0.81 MAPT (0.46) ALDH1A1MAPTLMNATSHRCYP3A4
SCHEMBL9772007 0.81 ALDH1A1 (0.43) ALDH1A1MAPTLMNATSHRCYP3A4
SCHEMBL9771985 0.81 ALDH1A1 (0.43) ALDH1A1MAPTLMNATSHRCYP3A4
SCHEMBL3031373 0.79 KDM4E (0.58) ALDH1A1MAPTLMNAKDM4EDUSP3
SCHEMBL30366092 0.79 MAPT (0.52) ALDH1A1MAPTLMNATSHRCYP3A4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3255031-B1 COMPOUND, AND SEPARATION METHOD, SYNTHESIS METHOD AND USE THEREOF BEIJING PEKING UNIV WBL BIOTECH CO LTD (CN) 2021-09-29 EP claimed
US-8309545-B2 Benzofuran potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-11-13 US disclosed
US-8217189-B2 Chromenone potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-07-10 US disclosed
US-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-04-08 US disclosed
US-20090298931-A1 NOVEL CHROMENONE POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-12-03 US disclosed
WO-2008040057-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2008-04-10 WO disclosed
US-5608059-A BIPYRIDINIUMS THAT CAN BE INCORPORATED IN ELECTROCHEMICAL OR OPTICAL SENSORS FOR ANION DETERMINATION EASTMAN KODAK COMPANY (US) 1997-03-04 US disclosed
EP-0412487-B1 Process for the preparation of castanospermine esters MERRELL DOW PHARMA (US) 1994-12-28 EP disclosed
EP-0325268-B1 1,4-DISUBSTITUTED-PIPERIDINYL COMPOUNDS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-06-02 EP disclosed
US-5162342-A USE OF 1,4-DISUBSTITUTED-PIPERIDINYL COMPOUNDS FOR ANALGESIA AND MUSCLE RELAXATION MERRELL DOW PHARMACEUTICALS INC. (US) 1992-11-10 US disclosed
US-5064838-A 1,4-DISUBSTITUTED-PIPERIDINYL COMPOUNDS AS PAIN RELIEVERS MERRELL DOW PHARMACEUTICALS (US) 1991-11-12 US disclosed
EP-0412487-A2 Process for the preparation of castanospermine esters MERRELL DOW PHARMACEUTICALS INC. (US) 1991-02-13 EP disclosed
US-4970317-A Process for the preparation of castanospermine esters MERRELL DOW PHARMACEUTICALS INC. (US) 1990-11-13 US disclosed
EP-0325268-A1 1,4-Disubstituted-piperidinyl compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1989-07-26 EP 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-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNK3 ALDH1A1 2900/4885MAPT 2351/4885LMNA 1489/4885
US-20090298931-A1 NOVEL CHROMENONE POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNK3, KCNA3, KCND3 ALDH1A1 3858/4885MAPT 2844/4885LMNA 1668/4885

“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.