SCHEMBL16632996

SCHEMBL16632996

COc1ccccc1Oc1cc(Cl)cc(/C=C/C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
NFE2L2 Q16236 3/20 0.41
AHR P35869 1/20 0.40
AR P10275 2/20 0.40
TTR P02766 2/20 0.36
CYP1A1 P04798 1/20 0.36
NQO2 P16083 1/20 0.36
CYP1B1 Q16678 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
MYC P01106 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL16632573 1.00 FDPS (0.43) FDPSALDH1A1MAPK1HTTL3MBTL1
SCHEMBL16632574 1.00 FDPS (0.43) FDPSALDH1A1MAPK1HTTL3MBTL1
SCHEMBL14871840 0.85 FDPS (0.45) FDPSALDH1A1HTTKMT2AMAPT
SCHEMBL16640620 0.84 AR (0.40) MAPTAR
SCHEMBL17883372 0.84 AR (0.40) MAPTAR
SCHEMBL14861171 0.83 FDPS (0.43) FDPSHTTKMT2AMAPTAHR
SCHEMBL14861173 0.83 FDPS (0.43) FDPSHTTKMT2AMAPTAHR
SCHEMBL16116729 0.82 FDPS (0.45) FDPSKMT2AMAPTAHRAR
SCHEMBL14871837 0.73 EPAS1 (0.34) FDPSKMT2AMAPTTTRNQO2
SCHEMBL14871838 0.71 FDPS (0.39) FDPSKMT2AMAPT

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 6 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-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
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
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
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 FDPS 518/4885ALDH1A1 1200/4885MAPK1 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.