SCHEMBL791883

SCHEMBL791883

C[C@H]1CC[C@H](NC(=O)CCC(=O)O)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
RAB9A P51151 4/20 0.51
EPHX1 P07099 1/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.42

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
SCHEMBL10015691 0.90 ALDH1A1 (0.80) ALDH1A1EPHX1SMN1; SMN2LMNAHPGD
SCHEMBL15906221 0.82 EPHX1 (0.50) ALDH1A1RAB9AEPHX1NPC1SMN1; SMN2
SCHEMBL18536761 0.82 ALDH1A1 (0.88) ALDH1A1RAB9AEPHX1SMN1; SMN2HPGD
SCHEMBL10132085 0.81 SMN1; SMN2 (0.65) ALDH1A1EPHX1SMN1; SMN2LMNAHPGD
SCHEMBL24556901 0.81 ALDH1A1 (0.67) ALDH1A1EPHX1SMN1; SMN2LMNAGAA
SCHEMBL15906214 0.81 SMYD3 (0.54) RAB9AEPHX1NPC1SMN1; SMN2GAA
SCHEMBL13649892 0.81 SMYD3 (0.54) RAB9AEPHX1NPC1SMN1; SMN2GAA
SCHEMBL20650992 0.80 ALDH1A1 (1.00) ALDH1A1EPHX1SMN1; SMN2HPGD
SCHEMBL22061771 0.80 ALDH1A1 (1.00) ALDH1A1EPHX1SMN1; SMN2HPGD
SCHEMBL10078357 0.80 ALDH1A1 (1.00) ALDH1A1EPHX1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALDH1A1 750/4885RAB9A 2410/4885EPHX1 3653/4885

“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.