SCHEMBL1947504

SCHEMBL1947504

CC(C)Oc1ccc(N(CCCl)C(=O)[C@H](O)[C@@H](O)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 5/20 0.36
TSPO P30536 1/20 0.36
TP53 P04637 3/20 0.35
THRB P10828 2/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
MCL1 Q07820 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 3/20 0.35
PARP10 Q53GL7 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
GLA P06280 1/20 0.32
MLYCD O95822 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 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
SCHEMBL1949169 0.85 ADRB2 (0.33) LMNAKMT2AMLYCDHPGDSMN1; SMN2
SCHEMBL6521794 0.85 KMT2A (0.41) HTTPOLBALDH1A1TSPOTP53
SCHEMBL1949752 0.85 MT-CO2 (0.39) MAPTLMNAKMT2AMMP2MMP9
SCHEMBL1949099 0.85 SERPINE1 (0.38) POLBTP53MLYCDHPGDSMN1; SMN2
SCHEMBL1950134 0.84 MLYCD (0.36) POLBALDH1A1TP53MAPTKDM4E
SCHEMBL1950109 0.84 ALDH1A1 (0.33) POLBALDH1A1MAPTKDM4ELMNA
SCHEMBL1946881 0.84 ADRB2 (0.34) ALDH1A1LMNAKMT2AMLYCDMEN1
SCHEMBL1949957 0.84 TSPO (0.35) HTTPOLBALDH1A1TSPOTP53
SCHEMBL1438384 0.82 MLYCD (0.39) HTTMAPTLMNAMMP2MMP9
SCHEMBL1947508 0.77 KMT2A (0.36) HTTPOLBALDH1A1TSPOTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 HTT 1888/4885POLB 1979/4885ALDH1A1 2444/4885

“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.