SCHEMBL4328875

SCHEMBL4328875

OCn1ccc2c(OCc3ccccc3)cccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.52
ROCK1 Q13464 1/20 0.51
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BCL2 P10415 2/20 0.45
MCL1 Q07820 2/20 0.45
LIPE Q05469 1/20 0.43
SRD5A2 P31213 1/20 0.43
MAPK14 Q16539 4/20 0.43
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
F9 P00740 1/20 0.41
F10 P00742 1/20 0.41
ALPG P10696 1/20 0.41
PTK2B Q14289 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
BRD4 O60885 1/20 0.41
LMNA P02545 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
SCHEMBL7958584 0.89 HTR6 (0.50) HTR6ROCK1MAPTMAPK1TDP1
SCHEMBL18049242 0.87 HTR6 (0.67) HTR6ROCK1MAPTMAPK1TDP1
SCHEMBL4323501 0.85 HTR6 (0.52) HTR6ROCK1MAPTMAPK1TDP1
SCHEMBL6384688 0.82 MCL1 (0.51) HTR6ROCK1BCL2MCL1SRD5A2
SCHEMBL4332614 0.81 HTR6 (0.48) HTR6ROCK1MAPTMAPK1TDP1
SCHEMBL6085436 0.81 HTR6 (0.60) HTR6ROCK1BCL2MCL1MAPK14
SCHEMBL27587757 0.80 MCL1 (0.54) HTR6ROCK1BCL2MCL1
SCHEMBL23956093 0.80 HTR2C (0.56) HTR6ROCK1MAPTMAPK1TDP1
SCHEMBL7958950 0.80 KLKB1 (0.49) HTR6ROCK1MAPTMAPK1TDP1
SCHEMBL27605562 0.79 APAF1 (0.47) 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 7 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-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-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
EP-1509515-A4 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) 2006-07-05 EP 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
EP-1509515-A2 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) 2005-03-02 EP disclosed
WO-2003097806-A2 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) 2003-11-27 WO 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 618/4885MAPT 4700/4885

“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.