SCHEMBL5860442

SCHEMBL5860442

[Li]C1C(C)=Cc2c(-c3ccccc3)cc(C)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.36
NUDT1 P36639 1/20 0.35
PSMB5 P28074 2/20 0.33
HDAC7 Q8WUI4 1/20 0.33
ESR2 Q92731 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
BACE1 P56817 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2B6 P20813 1/20 0.31
MAOB P27338 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL5859107 0.86
SCHEMBL27757805 0.82 METAP2 (0.36) METAP2NUDT1PSMB5HDAC7ESR2
SCHEMBL5859149 0.81 METAP2 (0.36) METAP2NUDT1PSMB5HDAC7PTGDR2
SCHEMBL5860083 0.81 METAP2 (0.33) METAP2NUDT1PSMB5HDAC7ALDH1A1
SCHEMBL28024193 0.81 METAP2 (0.35) METAP2NUDT1PSMB5HDAC7ESR2
Hydrochloric Acid SCHEMBL27670456 0.81 METAP2 (0.35) METAP2NUDT1PSMB5HDAC7ESR2
Hydrochloric Acid SCHEMBL28035005 0.80 METAP2 (0.34) METAP2NUDT1PSMB5HDAC7ESR2
SCHEMBL5694274 0.79 PDCD1 (0.37) ESR2CYP2A6CYP2B6ALDH1A1MAPK1
SCHEMBL27670455 0.78 METAP2 (0.33) METAP2NUDT1PSMB5HDAC7
SCHEMBL28035002 0.77 METAP2 (0.33) METAP2NUDT1PSMB5HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7081543-B2 Bridged biscyclopentadienyl ligands and method of preparation EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-07-25 US claimed
US-20050250956-A1 Bridged biscyclopentadienyl ligands and method of preparation RIX FRANCIS C 2005-11-10 US claimed
US-6960676-B2 Method of preparing group 14 bridged biscyclopentadienyl ligands EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-11-01 US claimed
EP-1263764-B1 METHOD OF PREPARING GROUP 14 BRIDGED BISCYCLOPENTADIENYL LIGANDS EXXONMOBIL CHEM PATENTS INC (US) 2004-04-14 EP claimed
US-20030220190-A1 Method of preparing group 14 bridged biscyclopentadienyl ligands EXXONMOBIL CHEMICAL PATENTS INC. 2003-11-27 US claimed
EP-1263764-A1 METHOD OF PREPARING GROUP 14 BRIDGED BISCYCLOPENTADIENYL LIGANDS ExxonMobil Chemical Patents Inc. (US) 2002-12-11 EP claimed
WO-2001058913-A1 METHOD OF PREPARING GROUP 14 BRIDGED BISCYCLOPENTADIENYL LIGANDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2001-08-16 WO claimed
US-7081543-B2 Bridged biscyclopentadienyl ligands and method of preparation EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-07-25 US disclosed
US-20050250956-A1 Bridged biscyclopentadienyl ligands and method of preparation RIX FRANCIS C 2005-11-10 US disclosed
US-6960676-B2 Method of preparing group 14 bridged biscyclopentadienyl ligands EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-11-01 US disclosed
EP-1263764-B1 METHOD OF PREPARING GROUP 14 BRIDGED BISCYCLOPENTADIENYL LIGANDS EXXONMOBIL CHEM PATENTS INC (US) 2004-04-14 EP disclosed
US-20030220190-A1 Method of preparing group 14 bridged biscyclopentadienyl ligands EXXONMOBIL CHEMICAL PATENTS INC. 2003-11-27 US disclosed
EP-1263764-A1 METHOD OF PREPARING GROUP 14 BRIDGED BISCYCLOPENTADIENYL LIGANDS ExxonMobil Chemical Patents Inc. (US) 2002-12-11 EP disclosed
WO-2001058913-A1 METHOD OF PREPARING GROUP 14 BRIDGED BISCYCLOPENTADIENYL LIGANDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2001-08-16 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-20050250956-A1 Bridged biscyclopentadienyl ligands and method of preparation FDPS, PPIP5K2, DBF4 METAP2 1564/4885NUDT1 315/4885PSMB5 3383/4885

“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.