SCHEMBL791504

SCHEMBL791504

C[C@H]1CC[C@H](NCc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.54
HDAC1 Q13547 2/20 0.52
KMT2A Q03164 4/20 0.50
THRB P10828 1/20 0.49
MEN1 O00255 2/20 0.49
RAB9A P51151 1/20 0.49
SSTR3 P32745 1/20 0.47
USP2 O75604 1/20 0.46
LTA4H P09960 2/20 0.46
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL29056584 0.92 HDAC1 (0.59) CHEK1HDAC1KMT2AMEN1RAB9A
SCHEMBL3440352 0.85 HDAC1 (0.57) HDAC1KMT2AMEN1RAB9ASSTR3
SCHEMBL13799812 0.85 HDAC1 (0.50) CHEK1HDAC1KMT2AMEN1RAB9A
SCHEMBL21089268 0.84 HDAC1 (0.72) HDAC1KMT2AMEN1RAB9ASSTR3
SCHEMBL18172536 0.83 HDAC1 (0.51) CHEK1HDAC1KMT2AMEN1RAB9A
SCHEMBL18172538 0.83 HDAC1 (0.51) CHEK1HDAC1KMT2AMEN1RAB9A
SCHEMBL18023358 0.83 HDAC1 (0.51) HDAC1KMT2AMEN1RAB9ASSTR3
SCHEMBL791813 0.82 THRB (0.51) CHEK1THRB
SCHEMBL5533747 0.82 DRD4 (0.50) HDAC1KMT2AMEN1RAB9ASSTR3
SCHEMBL9028836 0.80 GRIN2B (0.62) KMT2ATHRBMEN1RAB9ALTA4H

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 CHEK1 4324/4885HDAC1 182/4885KMT2A 1865/4885

“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.