SCHEMBL25609901

SCHEMBL25609901

CC(C)(C)OC[C@H](O)CC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.43
▸ ADRB2 P07550 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ ADRB3 P13945 1/20 0.34
▸ CTSK P43235 2/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSL P07711 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ CTSH P09668 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL25609899 1.00 MAPK1 (0.43) MAPK1ADRB2ADRB1ADRB3CTSK
SCHEMBL19700566 1.00 MAPK1 (0.43) MAPK1ADRB2ADRB1ADRB3CTSK
SCHEMBL7905711 0.98 MAPK1 (0.42) MAPK1ADRB2ADRB1ADRB3CTSK
SCHEMBL7905716 0.98 MAPK1 (0.42) MAPK1ADRB2ADRB1ADRB3CTSK
SCHEMBL21667917 0.78 MAPK1 (0.37) MAPK1
SCHEMBL21667891 0.78 MAPK1 (0.37) MAPK1KDM4EALDH1A1TDP1
SCHEMBL21667887 0.78 MAPK1 (0.37) MAPK1KDM4EALDH1A1TDP1
SCHEMBL21667916 0.78 MAPK1 (0.37) MAPK1
SCHEMBL19700561 0.78 MAPK1 (0.37) MAPK1KDM4EALDH1A1TDP1
SCHEMBL19709190 0.78 MAPK1 (0.37) MAPK1

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-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 — — US disclosed
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 — — 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 (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-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 MAPK1 3668/4885ADRB2 2910/4885ADRB1 3468/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 MAPK1 3668/4885ADRB2 2910/4885ADRB1 3468/4885

“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.

Send feedback