SCHEMBL4572096

SCHEMBL4572096

COc1ccc(N2CCN(c3ccc(C4(c5ccccc5)C=Cc5c6c(c7cc(OS(=O)(=O)C(F)(F)F)c(OC)cc7c5O4)-c4ccccc4C6(C)C)cc3)CC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
DRD2 P14416 4/20 0.34
ESRRG P62508 1/20 0.33
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC6A9 P48067 1/20 0.31
CHRM1 P11229 1/20 0.30
MAPK1 P28482 1/20 0.30
GSK3B P49841 1/20 0.30
ALDH1A1 P00352 2/20 0.30
PKM P14618 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL1963472 0.93 DRD2 (0.35) MAPTDRD2LMNAL3MBTL1MAPK1
SCHEMBL4568624 0.93 MAPT (0.36) MAPTLMNAHSP90AA1HTTL3MBTL1
SCHEMBL2200006 0.88 ACHE (0.35) MAPTDRD2LMNAHTTALDH1A1
SCHEMBL1963473 0.88 DRD2 (0.32) DRD2
SCHEMBL13868743 0.86 MAPT (0.35) MAPTLMNAHTTL3MBTL1ALDH1A1
SCHEMBL29453309 0.85 STK10 (0.35) MAPTLMNAHTTMAPK1ALDH1A1
SCHEMBL1045266 0.85 STK10 (0.35) MAPTLMNAHTTMAPK1ALDH1A1
SCHEMBL1046559 0.85 MEN1 (0.32) MAPTLMNAHTTALDH1A1
SCHEMBL29453311 0.85 MEN1 (0.32) MAPTLMNAHTTALDH1A1
SCHEMBL24620699 0.84 ACHE (0.35) MAPTHTTL3MBTL1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8709308-B2 Chromene compound TOKUYAMA CORPORATION (JP) 2014-04-29 US disclosed
US-20140034884-A1 CHROMENE COMPOUND TOKUYAMA CORPORATION (JP) 2014-02-06 US disclosed
US-20140030529-A1 CHROMENE COMPOUND TOKUYAMA CORPORATION (JP) 2014-01-30 US disclosed
US-8308996-B2 Chromene compound TOKUYAMA CORPORATION (JP) 2012-11-13 US disclosed
US-20120121934-A1 CHROMENE COMPOUND TOKUYAMA CORPORATION (JP) 2012-05-17 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 (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-20140030529-A1 CHROMENE COMPOUND TST, CNOT1, CNOT9 MAPT 161/4885DRD2 844/4885ESRRG 4129/4885
US-20120121934-A1 CHROMENE COMPOUND TST, CNOT1, CNOT9 MAPT 458/4885DRD2 1706/4885ESRRG 4514/4885

“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.