SCHEMBL19348562

SCHEMBL19348562

COC1(C(=O)O)CC(OCc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
EPHX2 P34913 1/20 0.43
GRM2 Q14416 1/20 0.42
GRM3 Q14832 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
DPP4 P27487 1/20 0.40
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
TMEM97 Q5BJF2 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL19348564 0.85 ADAM17 (0.44) OPRM1OPRL1EPHX2ALDH1A1DPP4
SCHEMBL19385743 0.81 OPRM1 (0.46) OPRM1OPRL1EPHX2GRM2GRM3
SCHEMBL2640274 0.81 EPHX2 (0.47) OPRM1OPRL1EPHX2GRM2GRM3
SCHEMBL31471348 0.80 EPHX2 (0.46) OPRM1OPRL1EPHX2GRM2GRM3
SCHEMBL32676611 0.79 EPHX2 (0.44) OPRM1OPRL1EPHX2ALDH1A1CTSL
SCHEMBL28543821 0.79 OPRM1 (0.49) OPRM1OPRL1EPHX2ALDH1A1CTSL
SCHEMBL15927870 0.79 OPRM1 (0.43) OPRM1OPRL1EPHX2GRM2GRM3
SCHEMBL14409083 0.78 GRM2 (0.47) OPRM1OPRL1EPHX2GRM2GRM3
SCHEMBL296907 0.78 GRM2 (0.47) OPRM1OPRL1EPHX2GRM2GRM3
SCHEMBL9960560 0.78 EPHX2 (0.45) OPRM1OPRL1EPHX2GRM2GRM3

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 6 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-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
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 OPRM1 2549/4885OPRL1 3171/4885EPHX2 3070/4885
US-20170267661-A1 INHIBITORS OF RET RET, HRAS, RB1 OPRM1 2549/4885OPRL1 3171/4885EPHX2 3070/4885

“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.