SCHEMBL873263

SCHEMBL873263

CCc1cc(CC)c(CC)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.43
NOS2 P35228 2/20 0.43
NOS1 P29475 1/20 0.43
DHFR P00374 3/20 0.36
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34

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
SCHEMBL30021400 0.87 NOS3 (0.42) NOS3NOS2NOS1DHFRGABRP
SCHEMBL16414472 0.84 NOS3 (0.44) NOS3NOS2NOS1DHFRGRIN2D
SCHEMBL7126232 0.81 NOS3 (0.45) NOS3NOS2NOS1GABRPGABRD
SCHEMBL31651921 0.79 GRIN2D (0.38) NOS3NOS2NOS1DHFRGRIN2D
SCHEMBL12343957 0.76 MAPT (0.39) NOS3NOS2NOS1POLB
SCHEMBL20869190 0.76 P2RX3 (0.46) NOS3NOS1PDE10A
SCHEMBL7117731 0.75 NOS3 (0.48) NOS3NOS2NOS1DHFRGRIN2D
SCHEMBL7220089 0.74 NOS3 (0.36) NOS3NOS2NOS1PDE10A
SCHEMBL7213409 0.74 MAPK1 (0.39) NOS3NOS2NOS1PDE10A
SCHEMBL11335296 0.74 PDXK (0.35) NOS3NOS2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796800-B2 Process for producing polydienes BRIDGESTONE CORPORATION (JP) 2017-10-24 US claimed
US-20160108153-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORPORATION (JP) 2016-04-21 US claimed
US-9249244-B2 Process for producing polydienes BRIDGESTONE CORPORATION (JP) 2016-02-02 US claimed
EP-2619233-A1 PROCESS FOR PRODUCING POLYDIENES Bridgestone Corporation (JP) 2013-07-31 EP claimed
CN-103154044-A Process for producing polydienes BRIDGESTONE CORP 2013-06-12 CN claimed
WO-2012040026-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORPORATION (JP) 2012-03-29 WO claimed
US-10066076-B1 Method for preparing conjugated diene polymer, composition comprising the same and tire comprising the composition LG CHEM, LTD. (KR) 2018-09-04 US disclosed
US-20180244892-A1 METHOD FOR PREPARING CONJUGATED DIENE POLYMER, COMPOSITION COMPRISING THE SAME AND TIRE COMPRISING THE COMPOSITION LG CHEM, LTD. (KR) 2018-08-30 US disclosed
US-9988515-B2 Method for preparing conjugated diene polymer, composition comprising the same and tire comprising the composition LG CHEM, LTD. (KR) 2018-06-05 US disclosed
US-9796800-B2 Process for producing polydienes BRIDGESTONE CORPORATION (JP) 2017-10-24 US disclosed
EP-2826793-B1 METHOD FOR PREPARING CONJUGATED DIENE-BASED POLYMER, COMPOSITION CONTAINING POLYMER, AND TIRE COMPRISING COMPOSITION LG CHEMICAL LTD (KR) 2017-08-16 EP disclosed
EP-2658886-B1 BULK POLYMERIZATION OF CONJUGATED DIENES USING A NICKEL-BASED CATALYST SYSTEM BRIDGESTONE CORP (JP) 2017-03-08 EP disclosed
US-9546227-B2 Bulk polymerization of conjugated dienes using a nickel-based catalyst system BRIDGESTONE CORPORATION (JP) 2017-01-17 US disclosed
WO-2012092547-A1 BULK POLYMERIZATION OF CONJUGATED DIENES USING A NICKEL-BASED CATALYST SYSTEM BRIDGESTONE CORPORATION (JP) 2012-07-05 WO disclosed
WO-2012092551-A1 BULK POLYMERIZATION OF CONJUGATED DIENES USING A NICKEL-BASED CATALYST SYSTEM BRIDGESTONE CORPORATION (JP) 2012-07-05 WO disclosed
WO-2012040026-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORPORATION (JP) 2012-03-29 WO disclosed
US-20030064989-A1 Inhibitors of cell proliferation, angiogenesis, fertility, and muscle contraction REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2003-04-03 US disclosed
EP-0725095-B1 Process for producing a polymer of vinylic compounds KURARAY CO (JP) 2002-08-21 EP disclosed
US-5708103-A Process for producing a polymer of vinylic compounds KURARAY CO., LTD. (JP) 1998-01-13 US disclosed
EP-0725095-A1 Process for producing a polymer of vinylic compounds KURARAY CO., LTD. (JP) 1996-08-07 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-20030064989-A1 Inhibitors of cell proliferation, angiogenesis, fertility, and muscle contraction MYH10, MYLK, MKI67 NOS3 416/4885NOS2 1820/4885NOS1 1076/4885

“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.