SCHEMBL13053300

SCHEMBL13053300

CC(C)(C)Cc1ccc(OCCCN)c(OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CSNK2A1 P68400 2/20 0.40
▸ BACE1 P56817 1/20 0.36
▸ BIRC5 O15392 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ HTR2C P28335 2/20 0.33
▸ HTR2B P41595 2/20 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
SCHEMBL13081244 0.87 SMN1; SMN2 (0.51) GLASMN1; SMN2CSNK2A1BACE1BIRC5
SCHEMBL20718709 0.82 ESR1 (0.42) CSNK2A1KDM4EATMPPARGPPARA
SCHEMBL13053296 0.75 CYP3A4 (0.48) SMN1; SMN2BACE1
SCHEMBL24038015 0.74 GAA (0.46) SMN1; SMN2CSNK2A1KDM4EATMHTR2B
SCHEMBL26417555 0.74 ESR1 (0.38) KDM4EPPARGPPARA
SCHEMBL23542720 0.74 CSNK2A1 (0.40) GLASMN1; SMN2CSNK2A1KDM4EATM
SCHEMBL17703302 0.73 ITGB3 (0.45) SMN1; SMN2
SCHEMBL25986451 0.73 ESR1 (0.39) SMN1; SMN2KDM4EPPARGPPARA
SCHEMBL12446453 0.72 KDM4E (0.47) SMN1; SMN2CSNK2A1KDM4EATMPPARA
SCHEMBL13053303 0.71 KCNH2 (0.48) GLA

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-9233976-B2 Berbamine derivatives CITY OF HOPE (US) 2016-01-12 — — US disclosed
US-20140155423-A1 BERBAMINE DERIVATIVES CITY OF HOPE (US) 2014-06-05 — — US disclosed
US-8722698-B2 Berbamine derivatives CITY OF HOPE (US) 2014-05-13 — — US disclosed
US-20100298369-A1 BERBAMINE DERIVATIVES CITY OF HOPE 2010-11-25 — — 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 (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-20100298369-A1 BERBAMINE DERIVATIVES BAK1, MCL1, BAD GLA 2316/4885SMN1; SMN2 2251/4885CSNK2A1 3301/4885
US-20140155423-A1 BERBAMINE DERIVATIVES BAK1, MCL1, BAD GLA 2316/4885SMN1; SMN2 2251/4885CSNK2A1 3301/4885

“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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