SCHEMBL16632521

SCHEMBL16632521

CC(C)(C)OC(=O)n1ccc2c(Oc3ccccc3OCc3ccccc3)cccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.41
HTR6 P50406 2/20 0.41
BCHE P06276 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ROCK1 Q13464 1/20 0.39
ACHE P22303 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
BRD4 O60885 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LOXL2 Q9Y4K0 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
SCHEMBL16632914 0.90 PTGER1 (0.45) TRPV3MRGPRX4
SCHEMBL16632378 0.82 L3MBTL1 (0.42) HTR6BCHEL3MBTL1BRD4LOXL2
SCHEMBL3903859 0.81 TRPV3 (0.40) TRPV3HTR6L3MBTL1ACHEMAPT
SCHEMBL16632578 0.81 TRPV3 (0.47) TRPV3L3MBTL1MAPTMAPK1TDP1
SCHEMBL3897518 0.80 TLR9 (0.41) L3MBTL1MRGPRX4RXRATLR9TLR7
SCHEMBL15590169 0.80 NPC1 (0.49) TRPV3HTR6BCHEL3MBTL1ACHE
SCHEMBL16632354 0.78 BRD4 (0.38) TRPV3L3MBTL1MAPTMAPK1TDP1
SCHEMBL3175931 0.78 ALDH1A1 (0.46) HTR6L3MBTL1ACHEMAPK1TDP1
SCHEMBL16632441 0.78 TRPV3 (0.45) TRPV3MRGPRX4TLR9TLR7
SCHEMBL21393149 0.78 NOTUM (0.51) L3MBTL1ROCK1MAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 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-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR TRPV3 4220/4885HTR6 2176/4885BCHE 748/4885

“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.