SCHEMBL4838513

SCHEMBL4838513

COC(=O)Cc1ccc(C#N)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
GAA P10253 3/20 0.48
GFER P55789 1/20 0.48
IMPDH2 P12268 3/20 0.47
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CACNA1H O95180 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 2/20 0.45
NFKB1 P19838 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP4F2 P78329 1/20 0.45

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
SCHEMBL5739424 0.91 ALDH1A1 (0.55) ALDH1A1GAAGFERNPC1TP53
SCHEMBL286389 0.87 AR (0.45) ALDH1A1GAAIMPDH2KDM4ETSHR
SCHEMBL2728844 0.86 GAA (0.62) ALDH1A1GAAIMPDH2CACNA1HTSHR
SCHEMBL286438 0.86 ALDH1A1 (0.49) ALDH1A1GAAIMPDH2NPC1CACNA1H
SCHEMBL13076912 0.85 ALDH1A1 (0.45) ALDH1A1GAAIMPDH2NPC1CACNA1H
SCHEMBL20943369 0.83 GAA (0.49) ALDH1A1GAAGFERNPC1TP53
SCHEMBL30154456 0.83 GAA (0.49) ALDH1A1GAAGFERNPC1TP53
SCHEMBL24172239 0.82 ALDH1A1 (0.48) ALDH1A1GAAGFERNPC1TP53
SCHEMBL5360300 0.82 GAA (0.48) ALDH1A1GAAGFERCACNA1HKDM4E
SCHEMBL2480987 0.82 GAA (0.48) ALDH1A1GAAGFERNPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 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-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 ALDH1A1 1819/4885GAA 1612/4885GFER 3435/4885

“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.