SCHEMBL1774704

SCHEMBL1774704

COC(=O)c1ccc(Cc2ccccc2COC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
CKS1B P61024 1/20 0.46
SKP2 Q13309 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL9233909 0.85 LOXL2 (0.51) PKMLOXL2CA1CA2CA12
SCHEMBL6817963 0.82 LOXL2 (0.58) PKMLOXL2CA1CA2CA12
SCHEMBL2579068 0.81 KEAP1 (0.56) LOXL2CA1CA2CA12CA9
SCHEMBL1773407 0.81 LOXL2 (0.53) LOXL2CA1CA2CA12CA9
SCHEMBL1773348 0.80 LOXL2 (0.51) PKMLOXL2CA1CA2CA12
SCHEMBL8992964 0.79 MAPT (0.56) LOXL2CA1CA2CA12CA9
SCHEMBL70372 0.78 TSHR (0.57) LOXL2CA1CA2CA12CA9
SCHEMBL9234838 0.77 RAB9A (0.52) LOXL2CA1CA2CA12CA9
SCHEMBL305693 0.77 LOXL2 (0.56) PKMLOXL2CA1CA2CA12
SCHEMBL6158387 0.75 TSHR (0.67) LOXL2CA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof SANOFI-AVENTIS (FR) 2011-05-12 US disclosed
US-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof SANOFI-AVENTIS (FR) 2011-05-12 US disclosed
US-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof SANOFI-AVENTIS (FR) 2011-05-12 US disclosed
WO-2009097997-A1 SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI-AVENTIS (FR) 2009-08-13 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-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof GIPR, PGC, DDC PKM 808/4885LOXL2 2751/4885CA1 4524/4885

“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.