SCHEMBL14850987

SCHEMBL14850987

C=CCCCCCNC(=O)C1CC2CC2C1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
ABCC4 O15439 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 3/20 0.32
DDAH1 O94760 2/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
TAAR1 Q96RJ0 1/20 0.30
EPHX2 P34913 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
SCHEMBL1104020 0.80 POLB (0.40) POLBABCC4MAPTALDH1A1DDAH1
SCHEMBL3590647 0.80 POLB (0.40) POLBABCC4MAPTALDH1A1DDAH1
SCHEMBL10303857 0.78 POLB (0.43) POLBABCC4MAPTALDH1A1DDAH1
SCHEMBL17121284 0.74 POLB (0.41) POLBABCC4MAPTALDH1A1DDAH1
SCHEMBL19215358 0.72 ALDH1A1 (0.42) POLBABCC4MAPTALDH1A1DDAH1
SCHEMBL14548729 0.71 POLB (0.47) POLBABCC4MAPTALDH1A1DDAH1
SCHEMBL7687818 0.70 POLB (0.37) POLBALDH1A1DDAH1KMT2ATAAR1
SCHEMBL1103811 0.68 ALDH1A1 (0.35) POLBABCC4MAPTALDH1A1DDAH1
SCHEMBL12023471 0.68 NAAA (0.35) POLBABCC4MAPTDDAH1TAAR1
SCHEMBL3588661 0.68 EPHX2 (0.32) ABCC4MAPTEPHX2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040562-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN R&D IRELAND (IE) 2015-05-26 US disclosed
US-20140255347-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN R&D IRELAND (IE) 2014-09-11 US disclosed
US-8741926-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN R&D IRELAND (IE) 2014-06-03 US disclosed
US-20130217725-A1 Macrocyclic Inhibitors Of Hepatitis C Virus MEDIVIR AB (SE) 2013-08-22 US disclosed
US-20130089520-A1 Macrocyclic Inhibitors Of Hepatitis C Virus MEDIVIR AB (SE) 2013-04-11 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-20140255347-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS POLB 2176/4885ABCC4 1022/4885MAPT 4865/4885
US-20130217725-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS POLB 2176/4885ABCC4 1022/4885MAPT 4865/4885
US-20130089520-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS POLB 2176/4885ABCC4 1022/4885MAPT 4865/4885

“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.