SCHEMBL7576216

SCHEMBL7576216

COC(=O)c1ccc(C#N)c(-c2cccc(C)c2C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
IL2 P60568 2/20 0.40
PDK2 Q15119 1/20 0.40
MAPK14 Q16539 1/20 0.39
ADORA2A P29274 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
XDH P47989 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
KIF11 P52732 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
SCHEMBL2126994 0.80 SMN1; SMN2 (0.47) ALDH1A1RAB9AMAPTL3MBTL1HCRTR1
SCHEMBL15999077 0.78 PDK2 (0.44) ALDH1A1PDK2CA12CA1CA2
SCHEMBL536163 0.78 S1PR3 (0.51) ALDH1A1LMNAMAPTCA12CA1
SCHEMBL8155327 0.78 PTGS2 (0.54) ALDH1A1RAB9AMAPTL3MBTL1PDK2
SCHEMBL31156224 0.78 ADORA2A (0.42) ALDH1A1RAB9ALMNAMAPTL3MBTL1
SCHEMBL31743276 0.78 ADORA2A (0.42) ALDH1A1RAB9ALMNAMAPTL3MBTL1
SCHEMBL7569920 0.77 TDP1 (0.53) ALDH1A1RAB9ALMNAMAPTL3MBTL1
SCHEMBL31155957 0.76 LMNA (0.45) ALDH1A1RAB9ALMNAMAPTL3MBTL1
SCHEMBL31156307 0.75 ALDH1A1 (0.52) ALDH1A1LMNAADORA2AXDHTDP1
SCHEMBL2478176 0.75 CA1 (0.49) ALDH1A1LMNAMAPTCA12CA1

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-20020019527-A1 Substituted phenyl farnesyltransferase inhibitors ABBOTT LABORATORIES 2002-02-14 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-20020019527-A1 Substituted phenyl farnesyltransferase inhibitors FNTA, FNTB, SLC10A1 ALDH1A1 385/4885RAB9A 1816/4885LMNA 2243/4885

“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.