SCHEMBL2809824

SCHEMBL2809824

C#Cc1cc(O)ccc1OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 2/20 0.41
LTA4H P09960 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 3/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36

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
SCHEMBL5901353 0.82 XDH (0.46) CALM1MEN1KMT2AALDH1A1KDM4E
SCHEMBL28050893 0.80 NQO1 (0.46) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL2810483 0.79 MAOB (0.50) CALM1ALDH1A1MAPTKDM4EUSP2
SCHEMBL17040984 0.79 TSHR (0.47) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL2808093 0.79 MAPT (0.54) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL3026188 0.77 CALM1 (0.51) CALM1LTA4HMEN1KMT2AALDH1A1
SCHEMBL1477520 0.75 PDE4A (0.49) CALM1LTA4HMEN1KMT2AALDH1A1
SCHEMBL2890250 0.75 TDP1 (0.37) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL31546843 0.73 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL29756063 0.73 ESR1 (0.54) CALM1LTA4HALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US 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 CALM1 1345/4885LTA4H 3467/4885MEN1 579/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 CALM1 1291/4885LTA4H 1765/4885MEN1 379/4885

“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.