SCHEMBL3946050

SCHEMBL3946050

[C]#Cc1cc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.47
CYP2A6 P11509 4/20 0.44
ASIC3 Q9UHC3 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
MGLL Q99685 1/20 0.44
BCL2L1 Q07817 1/20 0.42
CA2 P00918 2/20 0.41
ALOX5 P09917 1/20 0.41
APP P05067 2/20 0.40
AGXT P21549 1/20 0.40
ADRB2 P07550 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL6002655 0.78 GRM5 (0.47) GRM5CYP2A6ASIC3LOXL2MGLL
SCHEMBL12884269 0.78 GRM5 (0.60) GRM5CYP2A6ASIC3LOXL2MGLL
SCHEMBL3771142 0.78 GRM5 (0.47) GRM5CYP2A6ASIC3LOXL2MGLL
SCHEMBL6006529 0.78 GRM5 (0.47) GRM5CYP2A6ASIC3LOXL2MGLL
SCHEMBL56334 0.78 CYP2A6 (0.48) GRM5CYP2A6ASIC3LOXL2MGLL
SCHEMBL29529198 0.78 GRM5 (0.47) GRM5CYP2A6ASIC3LOXL2MGLL
SCHEMBL120641 0.78 GRM5 (0.47) GRM5CYP2A6ASIC3LOXL2MGLL
SCHEMBL12884270 0.77 GRM5 (0.58) GRM5CYP2A6ASIC3LOXL2MGLL
SCHEMBL12884267 0.75 GRM5 (0.57) GRM5CYP2A6ASIC3LOXL2MGLL
SCHEMBL9208830 0.71 GRM5 (0.53) GRM5CYP2A6ASIC3LOXL2MGLL

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2759543-B1 CHROMENE COMPOUND AND CURABLE COMPOSITION TOKUYAMA CORP (JP) 2017-07-19 EP disclosed
US-9487693-B2 Chromene compound TOKUYAMA CORPORATION (JP) 2016-11-08 US disclosed
EP-2725017-B1 CHROMENE COMPOUND TOKUYAMA CORP (JP) 2016-06-29 EP disclosed
US-8916071-B2 Chromene compound and curable composition TOKUYAMA CORPORATION (JP) 2014-12-23 US disclosed
EP-2554624-B1 PHOTOCHROMIC CURABLE COMPOSITION TOKUYAMA CORP (JP) 2014-11-05 EP disclosed
US-20140225050-A1 CHROMENE COMPOUND AND CURABLE COMPOSITION TOKUYAMA CORPORATION (JP) 2014-08-14 US disclosed
EP-2759543-A1 CHROMENE COMPOUND AND CURABLE COMPOSITION Tokuyama Corporation (JP) 2014-07-30 EP disclosed
US-20140154527-A1 CHROMENE COMPOUND TOKUYAMA CORPORATION (JP) 2014-06-05 US disclosed
EP-2725017-A1 CHROMENE COMPOUND Tokuyama Corporation (JP) 2014-04-30 EP disclosed
CN-103635470-A Chromene compound and curable composition TOKUYAMA CORPROATION 2014-03-12 CN disclosed
EP-2554624-A1 PHOTOCHROMIC CURABLE COMPOSITION Tokuyama Corporation (JP) 2013-02-06 EP disclosed
US-20130015416-A1 PHOTOCHROMIC CURABLE COMPOSITION TOKUYAMA CORPORATION (JP) 2013-01-17 US disclosed
EP-2479171-A1 CHROMENE COMPOUND Tokuyama Corporation (JP) 2012-07-25 EP disclosed
US-20120170098-A1 CHROMENE COMPOUND TOKUYAMA CORPORATION (JP) 2012-07-05 US disclosed
CN-102471304-A Chromene compound TOKUYAMA CORP 2012-05-23 CN disclosed
US-7521004-B2 Chromene compound TOKUYAMA CORPORATION (JP) 2009-04-21 US disclosed
EP-1674460-B1 CHROMENE COMPOUND TOKUYAMA CORP (JP) 2009-01-21 EP disclosed
US-20070215844-A1 Chromene Compound TOKUYAMA CORPORATION (JP) 2007-09-20 US disclosed
EP-1674460-A1 CHROMENE COMPOUND Tokuyama Corporation (JP) 2006-06-28 EP disclosed
US-6384065-B1 CONTROL THE FUNCTIONS OF PROTEINS SUCH AS ENZYMES AND RECEPTOR FORTREATING INFLAMMATORY DISEASES SUCH AS RHEUMATOID ARTHRITIS, TOYAMA CHEMICAL CO., LTD. (JP) 2002-05-07 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 (3 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-20120170098-A1 CHROMENE COMPOUND CRY2, CRY1, SUN2 GRM5 4420/4885CYP2A6 763/4885ASIC3 2014/4885
US-20070215844-A1 Chromene Compound CRY2, TYR, CRY1 GRM5 3486/4885CYP2A6 532/4885ASIC3 1830/4885
US-20140225050-A1 CHROMENE COMPOUND AND CURABLE COMPOSITION CRY2, CRY1, CDYL GRM5 4208/4885CYP2A6 798/4885ASIC3 1309/4885

“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.