SCHEMBL3590647

SCHEMBL3590647

C=CCCCCCNC(=O)C1CC(O)CC1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ABCC4 O15439 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.34
DDAH1 O94760 2/20 0.34
EPHX2 P34913 1/20 0.32
NAAA Q02083 1/20 0.31

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 1.00 POLB (0.40) POLBABCC4MAPTALDH1A1KMT2A
SCHEMBL10303857 0.87 POLB (0.43) POLBABCC4MAPTALDH1A1KMT2A
SCHEMBL17121284 0.82 POLB (0.41) POLBABCC4MAPTALDH1A1KMT2A
SCHEMBL12951832 0.82 DDAH1 (0.33) POLBABCC4MAPTALDH1A1LMNA
SCHEMBL3588661 0.81 EPHX2 (0.32) ABCC4MAPTEPHX2
SCHEMBL7687818 0.80 POLB (0.37) POLBALDH1A1KMT2ADDAH1
SCHEMBL14850987 0.80 POLB (0.35) POLBABCC4MAPTALDH1A1KMT2A
SCHEMBL10303835 0.76 EPHX2 (0.34) ALDH1A1LMNAEPHX2NAAA
SCHEMBL19215358 0.75 ALDH1A1 (0.42) POLBABCC4MAPTALDH1A1KMT2A
SCHEMBL14548729 0.74 POLB (0.47) POLBABCC4MAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111396-B1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES JANSSEN R & D IRELAND (IE) 2013-08-07 EP disclosed
US-8383584-B2 HCV inhibiting macrocyclic phenylcarbamates MEDIVIR AB (SE) 2013-02-26 US disclosed
US-20100041728-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES MEDIVIR AB 2010-02-18 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-20100041728-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES COPB1, HAVCR2, NOD1 POLB 445/4885ABCC4 1256/4885MAPT 3196/4885

“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.