SCHEMBL16632747

SCHEMBL16632747

c1ccc(COc2ccccc2Oc2cccc3[nH]ccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.54
DRD3 P35462 2/20 0.54
DRD2 P14416 2/20 0.54
RHEB Q15382 5/20 0.52
TRPA1 O75762 1/20 0.50
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SRD5A2 P31213 1/20 0.46
HTR1B P28222 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2A P28223 1/20 0.42
HTR1A P08908 2/20 0.42
LTA4H P09960 1/20 0.42
PLA2G2A P14555 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
MCL1 Q07820 1/20 0.42
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL29415608 0.91 DRD4 (0.63) DRD4DRD3DRD2RHEBMAPT
SCHEMBL746079 0.91 DRD4 (0.63) DRD4DRD3DRD2RHEBMAPT
SCHEMBL16632580 0.87 RHEB (0.63) DRD4DRD3DRD2RHEBTRPA1
Indole SCHEMBL28308979 0.84 DRD4 (0.56) DRD4DRD3DRD2TRPA1MAPT
Pyridine SCHEMBL28519653 0.83 DRD4 (0.55) DRD4DRD3DRD2MAPTMAPK1
Dimethyl Sulfoxide SCHEMBL28235221 0.83 DRD4 (0.55) DRD4DRD3DRD2MAPTMAPK1
SCHEMBL1499400 0.80 RHEB (0.73) DRD4DRD3DRD2RHEBTRPA1
SCHEMBL5538708 0.79 MAPT (0.63) DRD2MAPTMAPK1TDP1L3MBTL1
Ethoxycarbonyl Group SCHEMBL27472078 0.78 DRD4 (0.53) DRD4DRD3DRD2MAPTMAPK1
SCHEMBL12821465 0.78 RHEB (0.54) DRD4DRD3DRD2RHEBMAPT

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 DRD4 4510/4885DRD3 4108/4885DRD2 4588/4885

“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.