SCHEMBL18878050

SCHEMBL18878050

CCOC(=O)c1cccc2c1C(C)CN2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ CLEC4M Q9H2X3 1/20 0.42
▸ CDC25B P30305 2/20 0.42
▸ MAPT P10636 5/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ MAPKAPK2 P49137 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ NUDT1 P36639 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39

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
SCHEMBL16684902 0.84 ALOX5 (0.43) TSHRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL5698347 0.72 TSHR (0.50) TSHRALDH1A1HSD17B10CLEC4MCDC25B
SCHEMBL16684950 0.72 DRD2 (0.41) TSHRKDM4E
SCHEMBL31686108 0.71 TSHR (0.53) TSHRALDH1A1HSD17B10CLEC4MCDC25B
Diethyl Phthalate SCHEMBL27362502 0.71 TSHR (0.95) TSHRALDH1A1HSD17B10CDC25BMAPT
SCHEMBL16685133 0.70 DRD2 (0.42) —
Diethyl Phthalate SCHEMBL28268240 0.69 TSHR (0.91) TSHRALDH1A1HSD17B10CDC25BMAPT
Diethyl Phthalate SCHEMBL28092375 0.69 TSHR (0.91) TSHRALDH1A1HSD17B10CDC25BMAPT
SCHEMBL3500161 0.69 TSHR (0.50) TSHRALDH1A1HSD17B10CLEC4MCDC25B
Diethyl Phthalate SCHEMBL22296 0.69 TSHR (1.00) TSHRALDH1A1HSD17B10CDC25BMAPT

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-9861637-B2 Heterocyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2018-01-09 — — US disclosed
US-20170143731-A1 NOVEL HETEROCYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-05-25 — — US disclosed
US-20170143731-A1 NOVEL HETEROCYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-05-25 — — 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-20170143731-A1 NOVEL HETEROCYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRDT, BRD3 TSHR 3323/4885ALDH1A1 4346/4885HSD17B10 2464/4885

“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.

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