SCHEMBL26246281

SCHEMBL26246281

COCCCOc1ccc(OC#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.40
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
ALDH3A1 P30838 1/20 0.38
KDM4E B2RXH2 5/20 0.37
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
RECQL P46063 1/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 4/20 0.36
TMPRSS2 O15393 1/20 0.36
LTA4H P09960 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KCNA3 P22001 1/20 0.35

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
SCHEMBL6132301 0.78 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL13313214 0.77 MAPT (0.55) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL3111919 0.77 HRH3 (0.57) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL5985514 0.75 DRD2 (0.59) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL7920300 0.75 CYP3A4 (0.41) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL9964589 0.74 HDAC1 (0.49) ALDH1A1MAPTL3MBTL1KMT2ALMNA
SCHEMBL12939845 0.74 L3MBTL1 (0.40) ACACBALDH1A1MAPTKDM4EHPGD
SCHEMBL4598588 0.74 DRD4 (0.53) ALDH1A1MAPTKDM4EL3MBTL1RECQL
SCHEMBL919131 0.74 KCNA3 (0.39) ACACBALDH1A1MAPTKDM4EHPGD
SCHEMBL10879381 0.74 LTA4H (0.62) KDM4EMEN1KMT2ALMNALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702578-B2 Thermally conductive material, device with thermally conductive layer, composition for forming thermally conductive material, and disk-like liquid crystal compound FUJIFILM CORPORATION (JP) 2023-07-18 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 (1 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-11702578-B2 Thermally conductive material, device with thermally conductive layer, composition for forming thermally conductive material, and disk-like liquid crystal compound PYCARD, ASIC3, CRYAA ACACB 1777/4885ALDH1A1 357/4885MAPT 1176/4885

“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.