SCHEMBL2361067

SCHEMBL2361067

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
HDAC3 O15379 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LIMK2 P53671 1/20 0.43
P2RX1 P51575 1/20 0.40
KCNJ6 P48051 1/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GRIN2B Q13224 1/20 0.39
RAF1 P04049 1/20 0.39
MAPK14 Q16539 2/20 0.38
KCNK9 Q9NPC2 1/20 0.38
EPHX2 P34913 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
NLRP3 Q96P20 1/20 0.37

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
SCHEMBL2360576 0.89 LMNA (0.61) LMNASMN1; SMN2TP53RXFP1EPHX2
SCHEMBL2359845 0.83 MEN1 (0.47) LMNASMN1; SMN2TP53EPHX2POLB
SCHEMBL2359771 0.82 LMNA (0.44) LMNASMN1; SMN2TP53EPHX2POLB
SCHEMBL2359355 0.81 FADS1 (0.43) LMNATP53RXFP1GRIN2BNLRP3
SCHEMBL2359181 0.80 KMT2A (0.43) LMNASMN1; SMN2RXFP1RAB9AMEN1
SCHEMBL2361047 0.80 EPHX2 (0.52) LMNAP2RX1EPHX2POLBRAB9A
SCHEMBL2358284 0.79 KMT2A (0.51) LMNAPOLBALDH1A1KMT2A
SCHEMBL2360399 0.78 HTT (0.47) LMNASMN1; SMN2EPHX2POLBRAB9A
SCHEMBL2360243 0.77 EPHX1 (0.45) LMNAEPHX2POLBRAB9ANLRP3
SCHEMBL2359981 0.75 LMNA (0.41) LMNASMN1; SMN2P2RX1EPHX2MEN1

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 disclosed
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-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 LMNA 1039/4885HDAC3 240/4885HDAC8 336/4885

“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.