SCHEMBL3998331

SCHEMBL3998331

CC1=Cc2c(-c3ccccc3)cccc2C1CCC1C(C)=Cc2c(-c3ccccc3)cccc21.[LiH].[LiH]

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR2A P28223 1/20 0.32
BRD4 O60885 1/20 0.31
HTR7 P34969 1/20 0.31
DPP4 P27487 1/20 0.31
USP30 Q70CQ3 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP2B6 P20813 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
SCHEMBL4623138 0.98 PDCD1 (0.39) PDCD1CD274CHRNB2CHRNA4HTR2A
SCHEMBL7110286 0.94 PDCD1 (0.38) PDCD1CD274CHRNB2CHRNA4HTR2A
SCHEMBL6890691 0.94 PDCD1 (0.38) PDCD1CD274CHRNB2CHRNA4HTR2A
SCHEMBL1453704 0.91 PDCD1 (0.34) PDCD1CD274CHRNB2CHRNA4HTR2A
SCHEMBL1452035 0.90 ALDH1A1 (0.40) PDCD1CD274MAPK1
SCHEMBL28807858 0.89 BCHE (0.36) PDCD1CD274LMNAMAPK1
SCHEMBL27546243 0.89 PDCD1 (0.35) PDCD1CD274CHRNB2CHRNA4USP30
SCHEMBL5084813 0.89 PDCD1 (0.39) PDCD1CD274CHRNB2CHRNA4HTR2A
SCHEMBL27489709 0.87 SOAT1 (0.37)
SCHEMBL3997096 0.86 PDCD1 (0.35) PDCD1CD274CHRNB2CHRNA4

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
EP-1556417-B1 RACEMOSELECTIVE PREPARATION OF BRIDGED METALLOCENE COMPLEXES HAVING UNSUBSTITUTED OR 2-SUBSTITUTED INDENYL LIGANDS BASELL POLYOLEFINE GMBH (DE) 2009-06-10 EP disclosed
EP-1554296-B1 RACEMOSELECTIVE PREPARATION OF ISOLABLE ANSA-METALLOCENE BIPHENOXIDE COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2008-10-15 EP disclosed
US-7358381-B2 Racemoselective preparation of bridged metallocene complexes having unsubstituted or 2-substituted indenyl ligands BASELL POLYOLEFINE GMBH (DE) 2008-04-15 US disclosed
US-7193099-B2 Racemoselective preparation of isolable ansa-metallocene biphenoxide complexes BASELL POLYOLEFINE GMBH (DE) 2007-03-20 US disclosed
US-20060111527-A1 Racemoselective preparation of bridged metallocene complexes having unsubstituted or 2-substituted indenyl ligands EQUISTAR CHEMICALS, LP 2006-05-25 US disclosed
US-20060052587-A1 Racemoselective preparation of isolable ansa-metallocene biphenoxide complexes BASELL POLYOLEFINE GMBH (DE) 2006-03-09 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-20060111527-A1 Racemoselective preparation of bridged metallocene complexes having unsubstituted or 2-substituted indenyl ligands ITPA, IMPA1, INTS9 PDCD1 411/4885CD274 88/4885CHRNB2 3477/4885
US-20060052587-A1 Racemoselective preparation of isolable ansa-metallocene biphenoxide complexes ITPA, NBAS, ARSA PDCD1 762/4885CD274 482/4885CHRNB2 4451/4885

“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.