SCHEMBL1046397

SCHEMBL1046397

CCOC(=O)C(C)(C)c1nccn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
TSHR P16473 2/20 0.38
CNR2 P34972 4/20 0.38
RGS12 O14924 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
LPO P22079 2/20 0.37
CYP1A2 P05177 2/20 0.37
LMNA P02545 1/20 0.37
JMJD6 Q6NYC1 1/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
FDPS P14324 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR2A P28223 1/20 0.35
PMP22 Q01453 1/20 0.35

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
SCHEMBL25387197 0.80 TSHR (0.40) KMT2ATSHRRGS12ALDH1A1MAPT
SCHEMBL1083384 0.76 KMT2A (0.50) KMT2ATSHRALDH1A1MAPTLPO
SCHEMBL12928752 0.76 KMT2A (0.46) KMT2ATSHRALDH1A1MAPTLPO
SCHEMBL25387618 0.76 KMT2A (0.36) KMT2ATSHRRGS12ALDH1A1MAPT
SCHEMBL8283637 0.75 KMT2A (0.45) KMT2ATSHRALDH1A1MAPTLPO
SCHEMBL6930728 0.75 ALDH1A1 (0.38) KMT2ATSHRRGS12ALDH1A1MAPT
SCHEMBL8415398 0.72 KMT2A (0.56) KMT2ATSHRALDH1A1MAPTLPO
SCHEMBL28784054 0.71 KMT2A (0.45) KMT2ATSHRALDH1A1MAPTLPO
SCHEMBL22541580 0.71 LPO (0.42) RGS12ALDH1A1MAPTCYP4F2CYP4A11
SCHEMBL1822302 0.70 ALDH1A1 (0.46) KMT2ATSHRRGS12ALDH1A1MAPT

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-7868036-B2 Organic compounds NOVARTIS AG (CH) 2011-01-11 US disclosed
US-20080058320-A1 Organic Compounds NOVARTIS AG (CH) 2008-03-06 US disclosed
EP-1725530-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-11-29 EP disclosed
WO-2005090304-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-09-29 WO 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-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C KMT2A 3647/4885TSHR 817/4885CNR2 1857/4885

“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.