SCHEMBL6169645

SCHEMBL6169645

C=Cc1cccc2ccccc12.CC=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 3/20 0.47
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
NR1I2 O75469 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2C P18825 1/20 0.39
CNR1 P21554 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRK1 P41145 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL5804705 0.88 ALDH1A1 (0.48) CHATKDM4ELMNATSHR
Styrene SCHEMBL138405 0.84 ALDH1A1 (0.56) CHATPTGS1PTGS2HDAC8HDAC6
SCHEMBL28690632 0.84 CHAT (0.45) CHATPTGS1PTGS2HDAC8HDAC6
SCHEMBL10457001 0.83 CHAT (0.44) CHATPTGS1PTGS2HDAC8HDAC6
SCHEMBL10951988 0.83 CHAT (0.44) CHATPTGS1PTGS2HDAC8HDAC6
SCHEMBL10558462 0.83 NR1I2 (0.46) CHATCHRNB4CHRNA3CHRNA7NR1I2
SCHEMBL14912 0.82 SIRT2 (0.50) CHATHDAC8HDAC6MTNR1AMTNR1B
SCHEMBL29357296 0.82 SIRT2 (0.50) CHATHDAC8HDAC6MTNR1AMTNR1B
SCHEMBL31610342 0.82 SIRT2 (0.50) CHATHDAC8HDAC6MTNR1AMTNR1B
SCHEMBL6863260 0.82 SIRT2 (0.50) CHATHDAC8HDAC6MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559713-B1 Chromene compound TOKUYAMA CORP (JP) 2014-09-24 EP disclosed
EP-1559713-A1 Chromene compound Tokuyama Corporation (JP) 2005-08-03 EP disclosed
EP-1122251-B1 CHROMENE COMPOUNDS TOKUYAMA CORP (JP) 2005-07-20 EP disclosed
US-6719926-B2 Chromene compound TOKUYAMA CORPORATION (JP) 2004-04-13 US disclosed
US-20030195340-A1 Chromene compound MOMODA JUNJI (JP) 2003-10-16 US disclosed
US-6525194-B1 Naphtho-2,1-b-pyran derivative that develops yellow to red color TOKUYAMA CORPORATION (JP) 2003-02-25 US disclosed
US-20030028019-A1 Chromene compound MOMODA JUNJI (JP) 2003-02-06 US disclosed
US-6469076-B1 Chromene compounds TOKUYAMA CORPORATION (JP) 2002-10-22 US disclosed
EP-1122251-A1 CHROMENE COMPOUNDS TOKUYAMA CORPORATION (JP) 2001-08-08 EP disclosed
EP-1116723-A1 CHROMENE COMPOUNDS TOKUYAMA CORPORATION (JP) 2001-07-18 EP 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-20030028019-A1 Chromene compound MITF, TYR, CDYL CHAT 358/4885PTGS1 2727/4885PTGS2 2646/4885

“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.