SCHEMBL13053296

SCHEMBL13053296

CC(C)(C)Cc1ccc(OCCCN2C(=O)c3ccccc3C2=O)c(OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ RAB9A P51151 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TSHR P16473 4/20 0.46
▸ L3MBTL1 Q9Y468 4/20 0.46
▸ HPGD P15428 3/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ BACE1 P56817 2/20 0.43
▸ LMNA P02545 2/20 0.42
▸ AGTR1 P30556 1/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL15693967 0.77 ALDH1A1 (0.59) CYP3A4CYP2C9CYP2C19RAB9AMAPT
SCHEMBL13081239 0.77 CYP3A4 (0.66) CYP3A4CYP2C9CYP2C19RAB9AMAPT
SCHEMBL15693964 0.76 ALDH1A1 (0.55) CYP3A4CYP2C9CYP2C19RAB9AMAPT
SCHEMBL13053300 0.75 GLA (0.43) SMN1; SMN2BACE1
SCHEMBL15922820 0.72 RAB9A (0.59) RAB9AMAPTSMN1; SMN2TSHRL3MBTL1
SCHEMBL20718709 0.72 ESR1 (0.42) ALDH1A1
SCHEMBL7383650 0.72 TSHR (0.69) CYP3A4RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL15923755 0.72 RAB9A (0.62) CYP3A4CYP2C9CYP2C19RAB9AMAPT
SCHEMBL2733035 0.72 MAPT (0.61) CYP2C19RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL8777033 0.71 CYP3A4 (0.71) CYP3A4CYP2C9CYP2C19RAB9AMAPT

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 CYP3A4 861/4885CYP2C9 1675/4885CYP2C19 2169/4885
US-20140155423-A1 BERBAMINE DERIVATIVES BAK1, MCL1, BAD CYP3A4 861/4885CYP2C9 1675/4885CYP2C19 2169/4885

“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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