SCHEMBL2360096

SCHEMBL2360096

CC1(C)CC(O)CC(C)(C(=O)Nc2cc(F)cc(F)c2)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
BACE1 P56817 3/20 0.34
IDO1 P14902 2/20 0.34
P2RX7 Q99572 1/20 0.33
CACNA1H O95180 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CXCR3 P49682 1/20 0.32
CETP P11597 2/20 0.32
ABL1 P00519 1/20 0.32
SLC6A9 P48067 1/20 0.32
EGFR P00533 1/20 0.31

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
SCHEMBL12350998 0.91 GRM4 (0.43) EPHX2BACE1IDO1P2RX7CACNA1H
SCHEMBL2359981 0.89 LMNA (0.41) EPHX2P2RX7MEN1KMT2ACXCR3
SCHEMBL2358740 0.86 EPHX2 (0.43) EPHX2IDO1P2RX7MEN1KMT2A
SCHEMBL2360156 0.83 KMT2A (0.40) MEN1KMT2A
SCHEMBL12351010 0.81 KMT2A (0.42) EPHX2MEN1KMT2A
SCHEMBL2359771 0.80 LMNA (0.44) EPHX2P2RX7MEN1KMT2A
SCHEMBL12351017 0.80 IDO1 (0.40) IDO1
SCHEMBL2360538 0.78 P2RX4 (0.50) EPHX2P2RX7MEN1KMT2A
SCHEMBL12351034 0.78 AR (0.48) BACE1CXCR3
SCHEMBL12351003 0.78 SLC13A3 (0.43) EPHX2P2RX7MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 EPHX2 4462/4885BACE1 2385/4885IDO1 43/4885

“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.