SCHEMBL803802

SCHEMBL803802

COOCc1ccc2c(C3CCCCC3)c(-c3ccccc3O)[nH]c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.36
HTR2A P28223 9/20 0.34
ARF6 P62330 1/20 0.34
HTR2C P28335 7/20 0.33
KCNH2 Q12809 7/20 0.33
DRD2 P14416 5/20 0.33
CMKLR1 Q99788 1/20 0.32
KIF11 P52732 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 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
SCHEMBL13285903 0.91 ESR1 (0.33) HTR2AHTR2CKCNH2DRD2MPL
SCHEMBL13285988 0.89 TLR9 (0.37) HTR2AHTR2CKCNH2DRD2KIF11
SCHEMBL804035 0.88 HTR2A (0.34) HTR2AHTR2CKCNH2DRD2KIF11
SCHEMBL803746 0.86 HTR2A (0.32) HTR2AHTR2CKCNH2DRD2
SCHEMBL13965471 0.86 TUBB4A (0.33) HTR2AHTR2CKCNH2DRD2TUBB4A
SCHEMBL804157 0.85 HTR2A (0.33) HTR2AHTR2CKCNH2DRD2
SCHEMBL13286189 0.85 PDE5A (0.33) BCHEHTR2AKIF11PDE4APDE4B
SCHEMBL10283239 0.84 HTR2A (0.32) HTR2AHTR2CKCNH2DRD2
SCHEMBL803904 0.84 CDK4 (0.32) HTR2A
SCHEMBL13285905 0.82 PARP14 (0.41) ALDH1A1ALOX15

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
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP 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 BCHE 2576/4885HTR2A 4863/4885ARF6 1619/4885

“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.