SCHEMBL4323501

SCHEMBL4323501

CCn1ccc2c(OCc3ccccc3)cccc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.52
▸ ROCK1 Q13464 1/20 0.51
▸ MAPT P10636 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MAPK14 Q16539 6/20 0.46
▸ BCL2 P10415 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ LIPE Q05469 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ HTR1A P08908 1/20 0.41
▸ ADRA1D P25100 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 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
SCHEMBL18049242 0.87 HTR6 (0.67) HTR6ROCK1MAPTMAPK1TDP1
SCHEMBL4328875 0.85 HTR6 (0.52) HTR6ROCK1MAPTMAPK1TDP1
SCHEMBL4333782 0.83 HTR6 (0.46) HTR6ROCK1MAPTMAPK1TDP1
SCHEMBL7958584 0.83 HTR6 (0.50) HTR6ROCK1MAPTMAPK1TDP1
SCHEMBL23956093 0.82 HTR2C (0.56) HTR6ROCK1MAPTMAPK1TDP1
SCHEMBL769005 0.82 RHEB (0.55) HTR6ROCK1MAPTMAPK1TDP1
SCHEMBL25068948 0.81 HTR6 (0.40) HTR6ROCK1MAPTBCL2MCL1
SCHEMBL13742631 0.81 KDM4E (0.53) HTR6MAPTMAPK1TDP1L3MBTL1
SCHEMBL1163625 0.81 MAPK14 (0.44) ROCK1MAPTMAPK1TDP1L3MBTL1
SCHEMBL4332614 0.81 HTR6 (0.48) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186755-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2018-07-05 — — US disclosed
US-20180186755-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2018-07-05 — — 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
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 (2 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-20180186755-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX HTR6 2732/4885ROCK1 1941/4885MAPT 3741/4885
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.

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