SCHEMBL4332614

SCHEMBL4332614

c1ccc(COc2cccc3c2ccn3CC2CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.48
ROCK1 Q13464 1/20 0.47
CNR2 P34972 2/20 0.45
CNR1 P21554 2/20 0.43
KDM2B Q8NHM5 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 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
SCHEMBL4326536 0.85 HTR6 (0.46) HTR6ROCK1CNR2MAPTMAPK1
SCHEMBL18049242 0.82 HTR6 (0.67) HTR6ROCK1CNR2CNR1MAPT
SCHEMBL4328875 0.81 HTR6 (0.52) HTR6ROCK1MAPTMAPK1TDP1
SCHEMBL4323501 0.81 HTR6 (0.52) HTR6ROCK1MAPTMAPK1TDP1
SCHEMBL23805288 0.78 ROCK1 (0.49) HTR6ROCK1MAPTMAPK1TDP1
SCHEMBL7958584 0.78 HTR6 (0.50) HTR6ROCK1MAPTMAPK1TDP1
SCHEMBL6085436 0.76 HTR6 (0.60) HTR6ROCK1BCL2MCL1MAPK14
SCHEMBL6384688 0.75 MCL1 (0.51) HTR6ROCK1BCL2MCL1
SCHEMBL7958950 0.75 KLKB1 (0.49) HTR6ROCK1MAPTMAPK1TDP1
SCHEMBL23956093 0.75 HTR2C (0.56) HTR6ROCK1MAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528164-B2 Substituted 4-aryl-4h-pyrrolo[2,3-h]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2009-05-05 US disclosed
US-20060104998-A1 Substituted 4-aryl-4h-pyrrolo[2,3-h]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-05-18 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-20060104998-A1 Substituted 4-aryl-4h-pyrrolo[2,3-h]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP4, CASP2 HTR6 1981/4885ROCK1 618/4885CNR2 3098/4885

“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.