SCHEMBL3604762

SCHEMBL3604762

CCOC(=O)C(CC)Oc1ccc2ncc(I)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.45
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
F2 P00734 1/20 0.40
GLA P06280 1/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
P2RY12 Q9H244 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38
LMNA P02545 1/20 0.37
PRNP P04156 1/20 0.37
ALOX5 P09917 1/20 0.37
PDGFRB P09619 1/20 0.37

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
SCHEMBL535361 0.88 SMN1; SMN2 (0.51) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL3613497 0.85 AR (0.45) ARALDH1A1HPGDF2GLA
SCHEMBL1928588 0.83 ALDH1A1 (0.39) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL3605518 0.79 MAPT (0.38) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL534845 0.77 MAPT (0.36) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL534678 0.77 MAPT (0.36) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL534677 0.77 MAPT (0.36) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL3798515 0.76 SMN1; SMN2 (0.40) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL534541 0.76 HSD17B10 (0.36) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL534540 0.76 HSD17B10 (0.36) ALDH1A1HPGDF2GLAKDM4E

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
US-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US disclosed
EP-2139324-A1 QUINOLINE DERIVATIVES AS FUNGICIDES Syngeta Participations AG (CH) 2010-01-06 EP disclosed
WO-2008110355-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 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-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES CYP1A1, CYP4X1, CYP3A7 AR 2429/4885ALDH1A1 350/4885HPGD 3828/4885

“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.