SCHEMBL791741

SCHEMBL791741

C[C@H]1CC[C@H](NCc2ccccc2C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.50
EGLN1 Q9GZT9 1/20 0.50
THRB P10828 1/20 0.50
GAA P10253 1/20 0.49
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.43
BRD4 O60885 2/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
FOLH1 Q04609 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL13476626 0.83 ALDH1A1 (0.43) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL1182205 0.82 SLC6A2 (0.51) ALDH1A1KDM4EMEN1KMT2AHIF1A
SCHEMBL28209554 0.80 ALDH1A1 (0.45) ALDH1A1KDM4EHIF1ABRD4FOLH1
SCHEMBL21088501 0.79 KDM1A (0.40) VEGFAEGLN1THRBALDH1A1KDM4E
SCHEMBL2734356 0.79 ALDH1A1 (0.53) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL791499 0.77 GAA (0.53) VEGFAEGLN1THRBGAAALDH1A1
Phthalic Acid SCHEMBL22471697 0.77 ALDH1A1 (0.64) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL14032449 0.75 ACHE (0.60) ALDH1A1KMT2ABRD4HTTRAB9A
SCHEMBL791813 0.74 THRB (0.51) VEGFAEGLN1THRBHIF1AFOLH1
SCHEMBL12680887 0.74 GRIN2B (0.62) VEGFAEGLN1THRBMEN1KMT2A

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 VEGFA 3726/4885EGLN1 4406/4885THRB 4134/4885

“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.