SCHEMBL10246766

SCHEMBL10246766

CCOC(=O)c1cnoc1-c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
TDP2 O95551 2/20 0.44
ALDH1A1 P00352 8/20 0.44
HSD17B10 Q99714 2/20 0.44
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44
GABRQ Q9UN88 2/20 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
SCHEMBL11382394 0.86 ALOX5 (0.49) TSHRALDH1A1HSD17B10GABRPGABRD
SCHEMBL3170947 0.86 CSF1R (0.43) TSHRALDH1A1HSD17B10KDM4ERAB9A
SCHEMBL401738 0.83 PDK2 (0.46) TSHRALDH1A1HSD17B10GABRPGABRD
SCHEMBL6502372 0.83 TSHR (0.53) TSHRALDH1A1HSD17B10KDM4ERAB9A
SCHEMBL3181692 0.81 MYC (0.47) TSHRALDH1A1HSD17B10KDM4ERAB9A
SCHEMBL10191565 0.81 CSF1R (0.42) TSHRALDH1A1HSD17B10KDM4ERAB9A
SCHEMBL5771735 0.81 ALDH1A1 (0.50) TSHRALDH1A1HSD17B10KDM4ERAB9A
SCHEMBL22886783 0.79 MGAM (0.49) TSHRTDP2ALDH1A1HSD17B10GABRP
SCHEMBL5773388 0.77 TARBP2 (0.48) TSHRALDH1A1GABRA2GABRB2KDM4E
SCHEMBL5771407 0.76 TSHR (0.47) TSHRALDH1A1HSD17B10KDM4ERAB9A

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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US disclosed
US-4243406-A REDUCING INJURIES TO CROP PLANTS WHEN USING AN ALPHA-HALOACETANILIDE AS A HERBICIDE MONSANTO COMPANY (US) 1981-01-06 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 (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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 TSHR 900/4885TDP2 1709/4885ALDH1A1 1236/4885

“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.