SCHEMBL16632705

SCHEMBL16632705

Cc1cc2cccc(Oc3ccccc3OCc3ccccc3)c2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
STAT3 P40763 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LIPE Q05469 1/20 0.43
HTR1A P08908 5/20 0.41
ADRA1D P25100 4/20 0.41
ADRA1A P35348 4/20 0.41
ADRA1B P35368 4/20 0.41
BRD4 O60885 1/20 0.41
GRM5 P41594 1/20 0.41
SRD5A2 P31213 1/20 0.40
HTR6 P50406 1/20 0.40
MRGPRX4 Q96LA9 3/20 0.39
APP P05067 1/20 0.39
ALOX5 P09917 1/20 0.39
ABCB1 P08183 1/20 0.39

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
SCHEMBL7054784 0.92 MAPT (0.56) MAPTMAPK1TDP1L3MBTL1STAT3
SCHEMBL16632761 0.78 SRD5A2 (0.55) MAPTMAPK1TDP1L3MBTL1LIPE
SCHEMBL12755264 0.77 MAPT (0.47) MAPTMAPK1TDP1L3MBTL1STAT3
SCHEMBL865299 0.76 L3MBTL1 (0.50) MAPTMAPK1TDP1L3MBTL1STAT3
SCHEMBL5538708 0.75 MAPT (0.63) MAPTMAPK1TDP1L3MBTL1LIPE
SCHEMBL10535545 0.75 MAPT (0.49) MAPTMAPK1TDP1L3MBTL1STAT3
SCHEMBL16632385 0.74 L3MBTL1 (0.44) MAPTMAPK1TDP1L3MBTL1STAT3
SCHEMBL9736136 0.73 SRD5A2 (0.60) MAPTMAPK1TDP1L3MBTL1STAT3
SCHEMBL31501938 0.72 RHEB (0.46) MAPTMAPK1TDP1L3MBTL1STAT3
SCHEMBL26660809 0.72 RHEB (0.46) MAPTMAPK1TDP1L3MBTL1STAT3

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 MAPT 1046/4885MAPK1 3242/4885TDP1 548/4885

“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.