SCHEMBL16640622

SCHEMBL16640622

COc1cc(C)ccc1Oc1cc(F)cc2cc(C#N)ccc12

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.54
ACHE P22303 1/20 0.41
SLC6A4 P31645 2/20 0.41
SCN8A Q9UQD0 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
CFB P00751 1/20 0.38
ESRRA P11474 2/20 0.38
SLC22A12 Q96S37 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL16632675 0.91 AR (0.53) ARSLC6A4SCN8ASCN10A
SCHEMBL16632541 0.86 SLC6A4 (0.57) ARSLC6A4SCN8ASCN10AESRRA
SCHEMBL16632414 0.86 AR (0.53) ARACHESLC6A4SCN8ASCN10A
SCHEMBL16640617 0.84 AR (0.59) ARACHESLC6A4ESRRASLC6A2
SCHEMBL16632539 0.83 SLC6A4 (0.50) ARSLC6A4SCN8ASCN10AESRRA
SCHEMBL16632568 0.81 AR (0.54) ARACHESLC6A4SCN8ASCN10A
SCHEMBL16632458 0.77 SLC6A4 (0.60) ARSLC6A4ESRRASLC6A2
SCHEMBL16632440 0.75 P4HB (0.37) ARSCN8ASCN10A
SCHEMBL4175734 0.75 AR (0.59) ARSLC6A4SCN8ASCN10AESRRA
SCHEMBL5503972 0.75 AR (0.50) ARSLC6A4SCN8ASCN10AESRRA

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 AR 3070/4885ACHE 1975/4885SLC6A4 4266/4885

“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.