SCHEMBL4865610

SCHEMBL4865610

C(C=Nc1ccccc1)=Nc1ccccc1.[Ni]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.50
KMT2A Q03164 7/20 0.48
ALDH1A1 P00352 4/20 0.47
MAOA P21397 1/20 0.43
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 6/20 0.39
MEN1 O00255 5/20 0.39
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MIF P14174 1/20 0.38

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
SCHEMBL242948 0.97 S100B (0.52) S100BKMT2AALDH1A1MAOAKDM4E
SCHEMBL242949 0.97 S100B (0.52) S100BKMT2AALDH1A1MAOAKDM4E
SCHEMBL13754812 0.97 S100B (0.52) S100BKMT2AALDH1A1MAOAKDM4E
SCHEMBL5676571 0.94 S100B (0.50) S100BKMT2AALDH1A1MAOAKDM4E
SCHEMBL22238367 0.86 S100B (0.44) S100BKMT2AALDH1A1MAOAKDM4E
SCHEMBL23367976 0.80 KMT2A (0.44) S100BKMT2AALDH1A1MAOAKDM4E
SCHEMBL156585 0.80 KMT2A (0.44) S100BKMT2AALDH1A1MAOAKDM4E
SCHEMBL7089228 0.80 KMT2A (0.44) S100BKMT2AALDH1A1MAOAKDM4E
SCHEMBL10189846 0.80 KMT2A (0.44) S100BKMT2AALDH1A1MAOAKDM4E
Hydrochloric Acid SCHEMBL10938474 0.78 KMT2A (0.42) S100BKMT2AALDH1A1MAOAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429548-B2 Soluble late transition metal catalysts for olefin oligomerizations III EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-09-30 US disclosed
EP-1620447-B1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III EXXONMOBIL CHEM PATENTS INC (US) 2007-08-08 EP disclosed
US-7067450-B2 Soluble late transition metal catalysts for olefin oligomerizations III EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-27 US disclosed
US-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III ZHAO BAIYI 2006-02-16 US disclosed
EP-1620447-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III Exxonmobil Chemical Patents Inc. (US) 2006-02-01 EP disclosed
US-20040044150-A1 Soluble late transition metal catalysts for olefin oligomerizations III EXXONMOBIL CHEMICAL PATENTS INC. 2004-03-04 US disclosed
WO-2003102006-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-12-11 WO 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-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III COMT, CD69, SPR S100B 3217/4885KMT2A 2274/4885ALDH1A1 1898/4885

“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.