SCHEMBL16640617

SCHEMBL16640617

COc1cc(C)ccc1Oc1cccc2cc(C#N)ccc12

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.59
HPGDS O60760 1/20 0.45
ACHE P22303 2/20 0.42
SLC6A4 P31645 2/20 0.42
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ESRRA P11474 2/20 0.38
GUSB P08236 1/20 0.38
SLC6A2 P23975 1/20 0.38
NCEH1 Q6PIU2 2/20 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
SCHEMBL16632624 0.88 AR (0.57) ARHPGDSACHESLC6A4CA1
SCHEMBL16632568 0.87 AR (0.54) ARHPGDSACHESLC6A4CA1
SCHEMBL16632331 0.86 SLC6A4 (0.58) ARHPGDSACHESLC6A4CA1
SCHEMBL16640616 0.85 AR (0.43) ARHPGDSSLC6A4CA1CA2
SCHEMBL16640622 0.84 AR (0.54) ARACHESLC6A4ESRRASLC6A2
SCHEMBL6100395 0.83 HPGDS (0.56) ARHPGDSACHESLC6A4CA1
SCHEMBL20308917 0.81 ACHE (0.53) ARACHEESRRA
SCHEMBL16632732 0.79 CYP1A2 (0.50) ACHECA1CA2
SCHEMBL16632675 0.76 AR (0.53) ARHPGDSSLC6A4
SCHEMBL13871406 0.75 CYP1A2 (0.61) ACHESLC6A4ESRRASLC6A2

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 3070/4885HPGDS 998/4885ACHE 1975/4885

“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.