SCHEMBL4837545

SCHEMBL4837545

COC(=O)Cc1ccc(CN)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
GAA P10253 3/20 0.53
GFER P55789 1/20 0.53
TLR7 Q9NYK1 7/20 0.49
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
HSP90AB1 P08238 1/20 0.45
POLB P06746 1/20 0.44
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44

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
SCHEMBL12746166 0.84 ALDH1A1 (0.49) ALDH1A1GAAGFERTLR7TSHR
SCHEMBL13941511 0.84 GAA (0.49) ALDH1A1GAAGFERTLR7TSHR
SCHEMBL25564417 0.83 MEN1 (0.45) ALDH1A1GAATSHRNFKB1TDP1
SCHEMBL20943235 0.83 ALDH1A1 (0.54) ALDH1A1GAAGFERTLR7TSHR
SCHEMBL31260362 0.82 ALDH1A1 (0.48) ALDH1A1GAAGFERTLR7TSHR
SCHEMBL198282 0.82 ALDH1A1 (0.62) ALDH1A1GAAGFERMAPTCYP1A2
SCHEMBL29626821 0.82 ALDH1A1 (0.62) ALDH1A1GAAGFERMAPTCYP1A2
SCHEMBL13007382 0.81 ALDH1A1 (0.53) ALDH1A1GAAGFERTSHRTDP1
SCHEMBL5364637 0.81 ALDH1A1 (0.53) ALDH1A1GAAGFERTLR7TSHR
SCHEMBL5701107 0.81 ALDH1A1 (0.64) ALDH1A1GAAGFERTLR7TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102746214-A Novel indoline compounds FOURNIER LAB SA 2012-10-24 CN disclosed
EP-2281580-A2 Labeled gastrin releasing peptides (GRP) Bracco Imaging S.p.A (IT) 2011-02-09 EP disclosed
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080247946-A1 Bombesin capable of complexing with metal ions, radionuclides, or optical labels; radiotherapy BRACCO IMAGING S.P.A. (IT) 2008-10-09 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 US disclosed
CN-101184731-A Indoline compounds FOURNIER LAB SA (FR) 2008-05-21 CN disclosed
US-20070231257-A1 Radiodiagnosis, radiotherapy BRACCO IMAGING S.P.A. (IT) 2007-10-04 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 (3 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
US-20070231257-A1 Radiodiagnosis, radiotherapy GRPR, MRGPRX2, MRGPRX1 ALDH1A1 4443/4885GAA 1131/4885GFER 1899/4885
US-20080247946-A1 Bombesin capable of complexing with metal ions, radionuclides, or optical labels; radiotherapy GRPR, MRGPRX1, BRS3 ALDH1A1 4853/4885GAA 2412/4885GFER 3721/4885

“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.