SCHEMBL2359845

SCHEMBL2359845

CC1(C)CC(O)CC(C)(C(=O)Nc2cccc(Cl)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
LMNA P02545 5/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 4/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.43
HPGD P15428 2/20 0.43
IDO1 P14902 1/20 0.43
KDM4E B2RXH2 1/20 0.43
EPHX1 P07099 1/20 0.42
TSHR P16473 1/20 0.42
EPHX2 P34913 1/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RECQL P46063 1/20 0.42
ALOX15 P16050 1/20 0.42
MTOR P42345 1/20 0.41

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
SCHEMBL12351040 0.89 MEN1 (0.47) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL2360156 0.87 KMT2A (0.40) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL2359771 0.84 LMNA (0.44) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL2360243 0.84 EPHX1 (0.45) MEN1KMT2ALMNAHTTMAPT
SCHEMBL12359585 0.83 MEN1 (0.44) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL2361067 0.83 LMNA (0.47) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL2359355 0.83 FADS1 (0.43) MEN1KMT2ALMNAALDH1A1TP53
SCHEMBL12351046 0.82 MEN1 (0.43) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL2360576 0.82 LMNA (0.61) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL2359181 0.82 KMT2A (0.43) MEN1KMT2ALMNAALDH1A1SMN1; SMN2

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
WO-2011094953-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO claimed
WO-2011095576-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
WO-2011094953-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
WO-2011094953-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
WO-2011095576-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
US-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 US disclosed
US-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 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-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA NAT1, NHERF1, ADORA1 MEN1 1215/4885KMT2A 2790/4885LMNA 1039/4885

“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.