SCHEMBL4333782

SCHEMBL4333782

CCN(CC)CCn1ccc2c(OCc3ccccc3)cccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.46
▸ BCL2 P10415 2/20 0.45
▸ MCL1 Q07820 2/20 0.45
▸ ROCK1 Q13464 1/20 0.45
▸ MAPT P10636 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ BCHE P06276 5/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ MAPK14 Q16539 2/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL23956093 0.88 HTR2C (0.56) HTR6BCL2MCL1ROCK1MAPT
SCHEMBL4323501 0.83 HTR6 (0.52) HTR6BCL2MCL1ROCK1MAPT
SCHEMBL7958584 0.81 HTR6 (0.50) HTR6BCL2MCL1ROCK1MAPT
Fumaric Acid SCHEMBL29435347 0.80 HTR2C (0.50) HTR6BCL2MCL1HTR2C
Fumaric Acid SCHEMBL23927910 0.80 HTR2C (0.50) HTR6BCL2MCL1HTR2C
SCHEMBL18049242 0.79 HTR6 (0.67) HTR6BCL2MCL1ROCK1MAPT
SCHEMBL20337898 0.78 HTR6 (0.48) HTR6BCL2MCL1ROCK1MAPT
SCHEMBL4328875 0.78 HTR6 (0.52) HTR6BCL2MCL1ROCK1MAPT
SCHEMBL7958950 0.78 KLKB1 (0.49) HTR6BCL2MCL1ROCK1MAPT
SCHEMBL6384688 0.78 MCL1 (0.51) HTR6BCL2MCL1ROCK1

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-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
CN-100349887-C Substituted 4-aryl-4H-pyrrolo [2, 3-H ] chromenes and analogs, pharmaceutical compositions and uses thereof CYTOVIA INC (US) 2007-11-21 — — CN 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
CN-1668609-A 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) 2005-09-14 — — CN 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 1981/4885BCL2 26/4885MCL1 151/4885

“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.

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