SCHEMBL76034

SCHEMBL76034

COc1ccc(C2(O)CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)Nc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 5/20 0.47
CREBBP Q92793 5/20 0.47
MAPT P10636 1/20 0.46
GRIN2B Q13224 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CCR1 P32246 2/20 0.44
CYP2D6 P10635 1/20 0.44
CCR3 P51677 1/20 0.44
S1PR2 O95136 2/20 0.44
F10 P00742 1/20 0.43
LHCGR P22888 1/20 0.43

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
SCHEMBL2640041 0.86 ALDH1A1 (0.44) EP300CREBBPMAPTGRIN2BMEN1
SCHEMBL77525 0.76 GAA (0.55) MAPTMEN1KMT2ALMNAHTT
SCHEMBL24012052 0.75 POLB (0.55) ALDH1A1POLBCCR1F10LHCGR
SCHEMBL5912424 0.73 S1PR2 (0.65) MEN1KMT2AALDH1A1LMNAS1PR2
SCHEMBL85155 0.73 CA12 (0.51) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL76181 0.73 F10 (0.47) MAPTLMNAPOLBTSHRHTT
SCHEMBL5912126 0.72 MAPT (0.63) MAPTGRIN2BKMT2AALDH1A1TSHR
SCHEMBL75979 0.72 TRPV1 (0.65) MAPTALDH1A1LMNAPOLBHTT
SCHEMBL77683 0.72 CA12 (0.52) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL77436 0.72 LMNA (0.48) MAPTMEN1KMT2AALDH1A1LMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US claimed
US-20060183739-A1 Carbonyl compounds MERCK PATENT GMBH (DE) 2006-08-17 US claimed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
US-20060183739-A1 Carbonyl compounds MERCK PATENT GMBH (DE) 2006-08-17 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 (3 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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX EP300 1026/4885CREBBP 3197/4885MAPT 3896/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB EP300 1061/4885CREBBP 2304/4885MAPT 2660/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX EP300 1026/4885CREBBP 3197/4885MAPT 3896/4885

“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.