SCHEMBL4326536

SCHEMBL4326536

c1ccc(COc2cccc3c2ccn3CC2CO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.46
ROCK1 Q13464 2/20 0.46
BCL2 P10415 2/20 0.41
MCL1 Q07820 2/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DHFR P00374 1/20 0.39
MAPK14 Q16539 4/20 0.38
BCHE P06276 1/20 0.38
CNR2 P34972 1/20 0.38
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
BRD4 O60885 1/20 0.36

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
SCHEMBL4332614 0.85 HTR6 (0.48) HTR6ROCK1BCL2MCL1MAPT
SCHEMBL6580104 0.80 HTR2C (0.55) HTR6DHFRHTR2C
SCHEMBL6580004 0.80 HTR2C (0.55) HTR6DHFRHTR2C
SCHEMBL31668268 0.80 HTR6 (0.58) HTR6MAPK1TDP1BCHE
SCHEMBL18049242 0.80 HTR6 (0.67) HTR6ROCK1BCL2MCL1MAPT
SCHEMBL4323501 0.79 HTR6 (0.52) HTR6ROCK1BCL2MCL1MAPT
SCHEMBL4328875 0.79 HTR6 (0.52) HTR6ROCK1BCL2MCL1MAPT
SCHEMBL7958584 0.76 HTR6 (0.50) HTR6ROCK1BCL2MCL1MAPT
SCHEMBL20337958 0.76 LOXL2 (0.53) HTR6ROCK1MAPTMAPK1TDP1
SCHEMBL14353267 0.75 DHFR (0.39) HTR6BCL2MCL1MAPK1L3MBTL1

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 618/4885BCL2 26/4885

“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.