SCHEMBL6987984

SCHEMBL6987984

COC(=O)c1ccc(C#N)c(C2CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
ATM Q13315 1/20 0.46
NPC1 O15118 3/20 0.43
EPHX2 P34913 1/20 0.43
HPGD P15428 3/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL31435281 0.93 CA12 (0.44) ALDH1A1SMN1; SMN2NPSR1ATMNPC1
SCHEMBL1918813 0.92 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPSR1ATMNPC1
SCHEMBL12488933 0.87 CHRNB2 (0.42) ALDH1A1SMN1; SMN2NPSR1ATMNPC1
SCHEMBL31435342 0.84 CHRNB2 (0.44) ALDH1A1SMN1; SMN2NPSR1ATMNPC1
SCHEMBL1775666 0.81 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPSR1ATMNPC1
SCHEMBL5310778 0.81 CA12 (0.56) ALDH1A1SMN1; SMN2NPSR1ATMNPC1
SCHEMBL5307555 0.80 MAPT (0.51) ALDH1A1SMN1; SMN2NPSR1ATMNPC1
SCHEMBL7257741 0.80 CA12 (0.57) ALDH1A1SMN1; SMN2NPSR1ATMNPC1
SCHEMBL24860954 0.78 PDE5A (0.56) PDE5APDE1APDE1BPDE1C
SCHEMBL18459668 0.78 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2NPSR1ATMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276726-A2 SUBSTITUTED PHENYL FARNESYLTRANSFERASE INHIBITORS Abbott Laboratories (US) 2003-01-22 EP disclosed
US-20020019527-A1 Substituted phenyl farnesyltransferase inhibitors ABBOTT LABORATORIES 2002-02-14 US disclosed
WO-2001081316-A2 SUBSTITUTED PHENYL FARNESYLTRANSFERASE INHIBITORS ABBOTT LABORATORIES (US) 2001-11-01 WO 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 385/4885SMN1; SMN2 4187/4885NPSR1 3323/4885

“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.