SCHEMBL2359771

SCHEMBL2359771

CC1(C)CC(O)CC(C)(C(=O)Nc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC6A2 P23975 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.40
DRD2 P14416 1/20 0.40
EPHX2 P34913 3/20 0.40
NAPRT Q6XQN6 1/20 0.40
HSD17B10 Q99714 1/20 0.40
P2RX7 Q99572 2/20 0.39
ATM Q13315 1/20 0.38
TP53 P04637 1/20 0.38
EPHX1 P07099 1/20 0.38
CDK9 P50750 1/20 0.38

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
SCHEMBL2358740 0.86 EPHX2 (0.43) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL2359845 0.84 MEN1 (0.47) LMNAMEN1KMT2APOLBTSHR
SCHEMBL2359355 0.82 FADS1 (0.43) LMNAMEN1KMT2AALDH1A1TP53
SCHEMBL2361067 0.82 LMNA (0.47) LMNAMEN1KMT2APOLBSMN1; SMN2
SCHEMBL2360576 0.81 LMNA (0.61) LMNAMEN1KMT2APOLBSMN1; SMN2
SCHEMBL2359181 0.81 KMT2A (0.43) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2358284 0.80 KMT2A (0.51) LMNAKMT2APOLBALDH1A1MAPT
SCHEMBL2360096 0.80 EPHX2 (0.34) MEN1KMT2AEPHX2P2RX7
SCHEMBL2360156 0.80 KMT2A (0.40) MEN1KMT2APOLBSMN1; SMN2RAB9A
SCHEMBL2360243 0.80 EPHX1 (0.45) LMNAMEN1KMT2APOLBSLC6A2

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 6 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
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 LMNA 1039/4885MEN1 1215/4885KMT2A 2790/4885

“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.