SCHEMBL2808093

SCHEMBL2808093

C#Cc1cc(N)ccc1OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
KDM4E B2RXH2 4/20 0.54
GAA P10253 4/20 0.54
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HSD17B10 Q99714 4/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 4/20 0.43
TDP1 Q9NUW8 3/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 2/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL17101854 0.82 KDM4E (0.66) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL28050893 0.80 NQO1 (0.46) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2807310 0.79 ALDH1A1 (0.67) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL17040984 0.79 TSHR (0.47) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL2809824 0.79 CALM1 (0.41) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL31095359 0.77 MAPT (0.78) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL112468 0.77 MAPT (0.78) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL3874445 0.75 ALDH1A1 (0.51) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL30678626 0.75 MAPT (0.69) MAPTKDM4EGAAALDH1A1MEN1
Hydrochloric Acid SCHEMBL4945295 0.75 MAPT (0.81) MAPTKDM4EGAAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912551-B Recyclable aromatic amine reagent and preparation and application thereof 浙江新和成股份有限公司 2023-04-18 CN disclosed
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
CN-101868444-A Acetylenic compound, salt thereof, condensate thereof, and composition thereof FUJIFILM CORP 2010-10-20 CN disclosed
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
CN-101808982-A Acetylene compound FUJIFILM CORP 2010-08-18 CN disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 EP disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B MAPT 4057/4885KDM4E 3178/4885GAA 4079/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 MAPT 2046/4885KDM4E 3239/4885GAA 4412/4885

“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.