SCHEMBL1497520

SCHEMBL1497520

C=CCN([O])CCCCC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.41
ALDH1A1 P00352 2/20 0.39
FAAH O00519 1/20 0.37
DNM1 Q05193 3/20 0.37
ZDHHC20 Q5W0Z9 3/20 0.36
ZDHHC2 Q9UIJ5 2/20 0.36
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
THRB P10828 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL1239128 0.77 DNM1 (0.50) TSHRDNM1ADH1CADH1AADH4
SCHEMBL4140633 0.76 TSHR (0.44) TSHRALDH1A1FAAHDNM1ZDHHC20
SCHEMBL14812559 0.76 TSHR (0.44) TSHRALDH1A1FAAHDNM1ZDHHC20
SCHEMBL788690 0.76 TSHR (0.44) TSHRALDH1A1FAAHDNM1ZDHHC20
SCHEMBL811342 0.75 DNM1 (0.55) TSHRDNM1ADH1CADH1AADH4
SCHEMBL4453840 0.75 DNM1 (0.55) TSHRDNM1ADH1CADH1AADH4
SCHEMBL4755851 0.74 TSHR (0.48) TSHRALDH1A1FAAHDNM1ZDHHC20
SCHEMBL8423278 0.74 TSHR (0.48) TSHRALDH1A1FAAHDNM1ZDHHC20
SCHEMBL22157373 0.74 TSHR (0.48) TSHRALDH1A1FAAHDNM1ZDHHC20
SCHEMBL22157437 0.74 TSHR (0.42) TSHRALDH1A1FAAHDNM1ZDHHC20

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-20180369323-A1 MODULATION OF HEPATITIS B VIRUS CCCDNA TRANSCRIPTION UNIV DREXEL (US) 2018-12-27 US disclosed
US-9301950-B2 Adamantane analogs THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-04-05 US disclosed
CN-104507488-A Modulation of hepatitis b virus cccdna transcription UNIV DREXEL 2015-04-08 CN disclosed
US-8440720-B2 Methods of use of antiviral compounds INFLUMEDIX, INC. (US) 2013-05-14 US disclosed
US-20120270917-A1 ADAMANTANE ANALOGS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-10-25 US disclosed
US-20110065766-A1 METHODS OF USE OF ANTIVIRAL COMPOUNDS INFLUMEDIX, INC. 2011-03-17 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 (3 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-20110065766-A1 METHODS OF USE OF ANTIVIRAL COMPOUNDS MAVS, SLC30A5, HAVCR2 TSHR 3751/4885ALDH1A1 3877/4885FAAH 2661/4885
US-20120270917-A1 ADAMANTANE ANALOGS HAVCR2, ADORA2A, ADORA1 TSHR 1052/4885ALDH1A1 1161/4885FAAH 1924/4885
US-20180369323-A1 MODULATION OF HEPATITIS B VIRUS CCCDNA TRANSCRIPTION DNMT1, DNMT3B, HDAC1 TSHR 2652/4885ALDH1A1 2773/4885FAAH 4012/4885

“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.