SCHEMBL16632462

SCHEMBL16632462

CC(C)(C)OC(=O)n1ccc2c(Oc3ccc(Cl)cc3O)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.40
HSP90AA1 P07900 2/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
PGR P06401 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MAPT P10636 1/20 0.40
HSPA5 P11021 1/20 0.40
HPGD P15428 1/20 0.40
CBR1 P16152 1/20 0.40
TBXA2R P21731 1/20 0.40
SLC6A2 P23975 1/20 0.40
AGTR1 P30556 1/20 0.40
SLC6A3 Q01959 1/20 0.40
NOTUM Q6P988 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HSP90AB1 P08238 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
AKT1 P31749 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL16632378 0.86 L3MBTL1 (0.42) NOTUML3MBTL1LOXL2AKT1HTR6
SCHEMBL16632914 0.82 PTGER1 (0.45)
SCHEMBL29992759 0.77 FABP4 (0.46) NOTUML3MBTL1AKT1HTR6GPR119
SCHEMBL8211914 0.77 FABP4 (0.46) NOTUML3MBTL1AKT1HTR6GPR119
SCHEMBL3836430 0.77 L3MBTL1 (0.45) HSP90AA1NOTUML3MBTL1HSP90AB1AKT1
SCHEMBL2878376 0.76 NOTUM (0.63) HSP90AA1MAPTNOTUML3MBTL1HSP90AB1
SCHEMBL30763696 0.76 NOTUM (0.63) HSP90AA1MAPTNOTUML3MBTL1HSP90AB1
SCHEMBL24723625 0.75 L3MBTL1 (0.42) HPGDNOTUML3MBTL1AKT1HTR6
SCHEMBL16632521 0.74 TRPV3 (0.41) MAPTL3MBTL1LOXL2HTR6BRD4
SCHEMBL19645303 0.72 NOTUM (0.47) HSP90AA1NOTUML3MBTL1HSP90AB1AKT1

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 TTR 4120/4885HSP90AA1 1840/4885NR1I2 3463/4885

“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.