SCHEMBL19348564

SCHEMBL19348564

CCOC(=O)C1(OC)CC(OCc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.44
EPHX2 P34913 1/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
OPRM1 P35372 5/20 0.39
OPRL1 P41146 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DPP4 P27487 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
SLC22A1 O15245 1/20 0.39
SLC6A4 P31645 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
SCHEMBL871442 0.85 ADAM17 (0.46) ADAM17EPHX2TSHRALDH1A1L3MBTL1
SCHEMBL19348562 0.85 OPRM1 (0.43) EPHX2TSHRALDH1A1L3MBTL1CYP3A4
SCHEMBL15927866 0.84 ADAM17 (0.46) ADAM17EPHX2TSHRALDH1A1L3MBTL1
SCHEMBL8053435 0.83 ADAM17 (0.45) ADAM17EPHX2TSHRALDH1A1L3MBTL1
SCHEMBL15306513 0.83 ADAM17 (0.45) ADAM17EPHX2TSHRALDH1A1L3MBTL1
SCHEMBL297404 0.83 ADAM17 (0.45) ADAM17EPHX2TSHRALDH1A1L3MBTL1
SCHEMBL12277199 0.83 LMNA (0.46) ADAM17EPHX2TSHRALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL8049068 0.82 ADAM17 (0.44) ADAM17EPHX2TSHRALDH1A1L3MBTL1
SCHEMBL8050802 0.81 ADAM17 (0.43) ADAM17EPHX2TSHRALDH1A1L3MBTL1
SCHEMBL8049066 0.81 EPHX2 (0.44) ADAM17EPHX2TSHRALDH1A1L3MBTL1

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-10183928-B2 Inhibitors of RET BLUEPRINT MEDICINES CORPORATION (US) 2019-01-22 US disclosed
US-20170267661-A1 INHIBITORS OF RET BLUEPRINT MEDICINES CORPORATION 2017-09-21 US disclosed
WO-2017161269-A1 INHIBITORS OF RET RECEPTOR TYROSINE KINASES BLUEPRINT MEDICINES CORPORATION (US) 2017-09-21 WO disclosed
WO-2017161269-A1 INHIBITORS OF RET RECEPTOR TYROSINE KINASES BLUEPRINT MEDICINES CORPORATION (US) 2017-09-21 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 (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-10183928-B2 Inhibitors of RET RET, HRAS, RB1 ADAM17 2736/4885EPHX2 3070/4885TSHR 2226/4885
US-20170267661-A1 INHIBITORS OF RET RET, HRAS, RB1 ADAM17 2736/4885EPHX2 3070/4885TSHR 2226/4885

“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.