SCHEMBL16632378

SCHEMBL16632378

CC(C)(C)OC(=O)n1ccc2c(Oc3ccccc3O)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
RHEB Q15382 1/20 0.40
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
BCHE P06276 2/20 0.37
EPHX1 P07099 1/20 0.37
HTR6 P50406 3/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
AKT1 P31749 1/20 0.36
NOTUM Q6P988 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PIM1 P11309 1/20 0.36
MARK3 P27448 1/20 0.36
MAP4K2 Q12851 1/20 0.36
CAMK2B Q13554 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
CHRM2 P08172 1/20 0.36

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
SCHEMBL16632462 0.86 TTR (0.40) L3MBTL1RHEBBRD4CREBBPGPR119
SCHEMBL3836430 0.85 L3MBTL1 (0.45) L3MBTL1BRD4CREBBPBCHEEPHX1
SCHEMBL8211914 0.83 FABP4 (0.46) L3MBTL1BRD4CREBBPGPR119BCHE
SCHEMBL29992759 0.83 FABP4 (0.46) L3MBTL1BRD4CREBBPGPR119BCHE
SCHEMBL16632521 0.82 TRPV3 (0.41) L3MBTL1BRD4BCHEHTR6LOXL2
SCHEMBL24723625 0.81 L3MBTL1 (0.42) L3MBTL1BRD4CREBBPGPR119BCHE
SCHEMBL16632328 0.78 NR1H2 (0.40) L3MBTL1CHRM2CHRM4CHRM1CHRM3
SCHEMBL29992652 0.78 AKT1 (0.40) L3MBTL1BRD4CREBBPGPR119BCHE
SCHEMBL3044688 0.78 AKT1 (0.40) L3MBTL1BRD4CREBBPGPR119BCHE
SCHEMBL424580 0.77 L3MBTL1 (0.48) L3MBTL1BRD4CREBBPBCHEEPHX1

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 L3MBTL1 879/4885RHEB 2503/4885BRD4 1180/4885

“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.