SCHEMBL13623482

SCHEMBL13623482

O=C(N[C@H]1CCCCCCC[C@@H]2C[C@H]2NC(=O)[C@@H]2C[C@@H](OC(=O)N3CCc4ccccc4C3)CN2C1=O)OC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.33
▸ FAP Q12884 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL8278885 0.83 ADRB3 (0.33) POLBALDH1A1MAPTTDP1LMNA
SCHEMBL8294160 0.82 DRD2 (0.35) POLBALDH1A1MAPTTDP1LMNA
SCHEMBL3974766 0.81 ADRB3 (0.50) POLBALDH1A1MAPTTDP1LMNA
SCHEMBL3974770 0.81 ADRB3 (0.50) POLBALDH1A1MAPTTDP1LMNA
SCHEMBL3970706 0.81 ADRB3 (0.50) POLBALDH1A1MAPTTDP1LMNA
SCHEMBL8295392 0.81 ALDH1A1 (0.33) POLBALDH1A1MAPTTDP1LMNA
SCHEMBL13896394 0.81 POLB (0.40) POLBALDH1A1MAPTTDP1LMNA
SCHEMBL8294162 0.81 ADRB3 (0.45) POLBALDH1A1MAPTTDP1LMNA
SCHEMBL8278921 0.80 ADRB3 (0.34) POLBADRB3ADRA2BADRA2CMOGAT2
SCHEMBL3965612 0.80 ADRB3 (0.34) POLBADRB3ADRA2BADRA2CMOGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-11-19 — — 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-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 POLB 730/4885ALDH1A1 2109/4885MAPT 4563/4885

“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.

Send feedback