SCHEMBL16632385

SCHEMBL16632385

Cc1cc(Oc2ccccc2OCc2ccccc2)c2[nH]ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BRD4 O60885 5/20 0.42
MAOB P27338 1/20 0.42
POLB P06746 1/20 0.40
STAT3 P40763 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NSD2 O96028 1/20 0.39
ABL1 P00519 1/20 0.39
PPARG P37231 1/20 0.39
RIN1 Q13671 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
DHODH Q02127 1/20 0.39
IDO1 P14902 1/20 0.39
LIPE Q05469 1/20 0.38
APP P05067 1/20 0.38
HTR1A P08908 3/20 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
SCHEMBL16644672 0.82 CYP1A2 (0.40) L3MBTL1MAPTMAPK1TDP1SMN1; SMN2
SCHEMBL837602 0.76 L3MBTL1 (0.51) L3MBTL1MAPTMAPK1TDP1BRD4
SCHEMBL3044287 0.74 L3MBTL1 (0.46) L3MBTL1MAPTMAPK1TDP1POLB
SCHEMBL30024442 0.74 L3MBTL1 (0.46) L3MBTL1MAPTMAPK1TDP1POLB
SCHEMBL16632705 0.74 MAPT (0.50) L3MBTL1MAPTMAPK1TDP1BRD4
SCHEMBL5538708 0.73 MAPT (0.63) L3MBTL1MAPTMAPK1TDP1BRD4
SCHEMBL16632579 0.72 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2
SCHEMBL16632747 0.71 DRD4 (0.54) L3MBTL1MAPTMAPK1TDP1HTR1A
SCHEMBL3909498 0.71 NSD2 (0.50) L3MBTL1MAOBPOLBNSD2ABL1
SCHEMBL28209296 0.71 MEN1 (0.52)

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 879/4885MAPT 1046/4885MAPK1 3242/4885

“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.