SCHEMBL717175

SCHEMBL717175

Cc1cccc(COC(N)=O)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
LMNA P02545 1/20 0.40
NQO1 P15559 1/20 0.40
POLB P06746 1/20 0.40
TRPA1 O75762 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
IDO1 P14902 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
PLAU P00749 2/20 0.38

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
SCHEMBL676460 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10HPGDCA12
SCHEMBL1837900 0.84 ESR1 (0.42) ALDH1A1KDM4EHSD17B10LMNANPC1
SCHEMBL1841418 0.84 MAOB (0.50) ALDH1A1KDM4EHPGDLMNANPC1
SCHEMBL27667660 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10HPGDCA12
SCHEMBL27654150 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10HPGDCA12
SCHEMBL18869371 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10HPGDCA12
SCHEMBL29501710 0.77 SMN1; SMN2 (0.48) ALDH1A1KDM4ELMNANQO1IDO1
SCHEMBL6990892 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10HPGDCA12
SCHEMBL4783142 0.76 TYR (0.54) KDM4ELMNAPOLBL3MBTL1CYBB
SCHEMBL13318414 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10HPGDCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053342-A1 METHOD FOR MAKING CARBAMATES, UREAS AND ISOCYANATES SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2012-03-01 US disclosed
US-8058469-B2 Method for making carbamates, ureas and isocyanates SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2011-11-15 US disclosed
EP-2362867-A2 METHOD FOR MAKING CARBAMATES, UREAS AND ISOCYANATES SABIC Innovative Plastics IP B.V. (NL) 2011-09-07 EP disclosed
WO-2010062490-A2 METHOD FOR MAKING CARBAMATES, UREAS AND ISOCYANATES SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-06-03 WO disclosed
US-20100113819-A1 Method for Making Carbamates, Ureas and Isocyanates SABIC INNOVATIVE PLASTICS IP BV (NL) 2010-05-06 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 (2 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-20100113819-A1 Method for Making Carbamates, Ureas and Isocyanates CPS1, ALKBH3, KDM8 ALDH1A1 2313/4885KDM4E 73/4885HSD17B10 1456/4885
US-20120053342-A1 METHOD FOR MAKING CARBAMATES, UREAS AND ISOCYANATES CPS1, ALKBH3, IDH3A ALDH1A1 2343/4885KDM4E 80/4885HSD17B10 1310/4885

“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.