SCHEMBL19482467

SCHEMBL19482467

CC(C)(C)OC(=O)Oc1ccc(C2(C)CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.54
▸ KDM1A O60341 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.40
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ CA2 P00918 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPKAPK2 P49137 2/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ TSHR P16473 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL12415142 0.87 ELANE (0.55) ELANEKDM1AADORA3SLC6A2SLC6A4
SCHEMBL19486861 0.86 ELANE (0.51) ELANEKDM1ACA2MAPKAPK2MEN1
SCHEMBL15887464 0.84 MAPT (0.50) ADORA3NPC1RAB9AMAPTHTT
SCHEMBL19459182 0.82 ELANE (0.48) ELANEKDM1ANPC1RAB9AMAPT
SCHEMBL12242734 0.81 ELANE (0.49) ELANEKDM1AADORA3CA2NPC1
SCHEMBL8006119 0.80 ELANE (0.46) ELANEKDM1ACA2NPC1RAB9A
SCHEMBL14357615 0.80 ESR1 (0.49) ELANEADORA3SLC6A2SLC6A3NPC1
SCHEMBL4061370 0.79 ELANE (0.81) ELANEKDM1ACA2RAB9AMAPT
SCHEMBL19482465 0.77 ELANE (0.48) ELANEKDM1AADORA3CA2NPC1
SCHEMBL13039989 0.76 TSHR (0.38) ADORA3CA2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298069-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION 2017-10-19 — — 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-20170298069-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE ACVR1, ACVR2A, ACVRL1 ELANE 4614/4885KDM1A 1930/4885ADORA3 1859/4885

“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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