SCHEMBL16632761

SCHEMBL16632761

Cc1cc2c(Oc3ccccc3OCc3ccccc3)cccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.55
MAPT P10636 2/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CTSV O60911 2/20 0.45
CTSL P07711 2/20 0.45
HTR1A P08908 3/20 0.44
SLC6A2 P23975 2/20 0.44
ABCB11 O95342 1/20 0.44
ADRA2A P08913 1/20 0.44
PTGS1 P23219 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
KDR P35968 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42

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
SCHEMBL1013895 0.92 SRD5A2 (0.64) SRD5A2MAPTMAPK1TDP1L3MBTL1
SCHEMBL31530782 0.92 SRD5A2 (0.64) SRD5A2MAPTMAPK1TDP1L3MBTL1
SCHEMBL8142594 0.82 HTR1A (0.50) MAPTL3MBTL1HTR1ASLC6A2ABCB11
SCHEMBL16632330 0.82 RHEB (0.56) SRD5A2MAPTMAPK1TDP1L3MBTL1
SCHEMBL16632383 0.81 SRD5A2 (0.55) SRD5A2MAPTMAPK1TDP1L3MBTL1
SCHEMBL16632405 0.81 SRD5A2 (0.52) SRD5A2MAPTMAPK1TDP1L3MBTL1
SCHEMBL9023399 0.79 SRD5A2 (0.51) SRD5A2MAPTMAPK1TDP1L3MBTL1
SCHEMBL16632523 0.79 SRD5A2 (0.67) SRD5A2CTSVCTSLGAACYP2D6
SCHEMBL16632705 0.78 MAPT (0.50) SRD5A2MAPTMAPK1TDP1L3MBTL1
SCHEMBL1227732 0.77 KDR (0.55) SRD5A2MAPTMAPK1TDP1L3MBTL1

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 SRD5A2 1884/4885MAPT 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.