SCHEMBL16632510

SCHEMBL16632510

N#Cc1ccc2c(Oc3ccccc3O)cccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
AR P10275 4/20 0.40
PLAU P00749 1/20 0.39
NCEH1 Q6PIU2 2/20 0.38
SLC6A4 P31645 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
KMT2A Q03164 2/20 0.38
HPGDS O60760 1/20 0.38
MEN1 O00255 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SOS2 Q07890 1/20 0.36

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
SCHEMBL16632452 0.86 P4HB (0.39) CA1CA2ARNCEH1SLC6A4
SCHEMBL16632470 0.85 TTR (0.47) CA1CA2ARNCEH1SLC6A4
SCHEMBL16640616 0.85 AR (0.43) CA1CA2ARNCEH1SLC6A4
SCHEMBL16632380 0.85 AR (0.40) CA1CA2ARNCEH1
SCHEMBL16632596 0.83 AR (0.43) CA1CA2ARNCEH1SLC6A4
SCHEMBL16632624 0.82 AR (0.57) CA1CA2ARSLC6A4KDM4E
SCHEMBL4959376 0.81 PLAU (0.53) CA1CA2ARPLAUSLC6A4
SCHEMBL676533 0.77 CYP1A2 (0.58) CA1CA2KDM4EALDH1A1LMNA
SCHEMBL16632629 0.77 TTR (0.45) PLAULMNAMAPTHPGDKMT2A
SCHEMBL16632676 0.77 CYP1A2 (0.49) CA1CA2PLAUKDM4EALDH1A1

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 CA1 4637/4885CA2 2940/4885AR 3070/4885

“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.