SCHEMBL1046841

SCHEMBL1046841

CCOC(=O)C(C)(C)C1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.38
RECQL P46063 1/20 0.38
PPM1B O75688 1/20 0.37
PTPN1 P18031 1/20 0.37
PPP1CC P36873 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
GPR119 Q8TDV5 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP8 P22894 1/20 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
SCHEMBL16370032 0.90 TSHR (0.35) TSHRMAPTRECQLPPM1BPTPN1
SCHEMBL3942273 0.84 TSHR (0.40) TSHRMAPTRECQLPPM1BPTPN1
SCHEMBL3942274 0.84 TSHR (0.40) TSHRMAPTRECQLPPM1BPTPN1
SCHEMBL19071938 0.81 ALDH1A1 (0.41) MAPTALDH1A1KMT2ACYP4F2CYP4A11
SCHEMBL8331827 0.80 TSHR (0.37) TSHRMAPTRECQLPPM1BPTPN1
SCHEMBL15361076 0.80 CYP4F2 (0.36) TSHRPPM1BPTPN1PPP1CCALDH1A1
SCHEMBL12545523 0.79 CNR2 (0.33) RECQLPPM1BPTPN1PPP1CCALDH1A1
SCHEMBL12326292 0.79 POLB (0.43) TSHRMAPTPPM1BPTPN1PPP1CC
SCHEMBL594164 0.79 CYP4F2 (0.39) MAPTPPM1BPTPN1PPP1CCKMT2A
SCHEMBL16840105 0.77 MAPT (0.36) TSHRMAPTPPM1BPTPN1PPP1CC

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 TSHR 817/4885MAPT 1300/4885RECQL 719/4885

“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.