SCHEMBL13720705

SCHEMBL13720705

CC1CC(C)(C)OB(c2cc(Cl)ccc2NC(=O)C(C)(C)C)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ LIPE Q05469 1/20 0.36
▸ PDK1 Q15118 2/20 0.36
▸ PDK2 Q15119 2/20 0.36
▸ PDK3 Q15120 2/20 0.36
▸ PDK4 Q16654 2/20 0.36
▸ MAPT P10636 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ CFTR P13569 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ PTGES O14684 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CETP P11597 1/20 0.32

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
SCHEMBL13720972 0.81 LIPE (0.49) KMT2ARAB9AMEN1NPC1LIPE
SCHEMBL13721740 0.75 L3MBTL1 (0.46) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL3792617 0.67 KMT2A (0.58) KMT2ARAB9AMEN1NPC1PDK1
SCHEMBL1053651 0.67 LIPE (0.49) KMT2ARAB9AMEN1NPC1LIPE
SCHEMBL14254880 0.66 PDK1 (0.69) KMT2ARAB9AMEN1NPC1PDK1
SCHEMBL31718129 0.66 PDK1 (0.69) KMT2ARAB9AMEN1NPC1PDK1
SCHEMBL1063614 0.66 LIPE (0.49) LIPEPDK1PDK2PDK3PDK4
SCHEMBL18088737 0.65 POLB (0.58) KMT2ARAB9AMEN1NPC1PDK1
SCHEMBL6993599 0.65 KMT2A (0.55) KMT2ARAB9AMEN1PDK1PDK2
SCHEMBL6992137 0.64 KMT2A (0.56) KMT2ARAB9AMEN1NPC1PDK1

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
WO-2012155042-A2 NOVEL BORATE DERIVATIVES AND THEIR APPLICATIONS ANDERSON DEVELOPMENT COMPANY (US) 2012-11-15 — — WO disclosed
US-20120289733-A1 NOVEL BORATE DERIVATIVES AND THEIR APPLICATIONS ANDERSON DEVELOPMENT COMPANY (US) 2012-11-15 — — 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-20120289733-A1 NOVEL BORATE DERIVATIVES AND THEIR APPLICATIONS BRS3, BRSK1, CA4 KMT2A 2803/4885RAB9A 1567/4885MEN1 58/4885

“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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