SCHEMBL5860028

SCHEMBL5860028

[Li]C1C(C(C)C)=Cc2c(-c3cccc4ccccc34)cc(C)cc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5 P09917 1/20 0.32
PTPN1 P18031 1/20 0.32
CYP2A6 P11509 2/20 0.31
CYP1A2 P05177 1/20 0.31
GPR84 Q9NQS5 1/20 0.30
ALDH1A1 P00352 1/20 0.30
DHFR P00374 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
SCHEMBL5859260 0.85 MAPT (0.36) CA12CA1CA2CA9AKR1C3
SCHEMBL5860312 0.84 CA12 (0.38) CA12CA1CA2CA9MAOA
SCHEMBL5860083 0.80 METAP2 (0.33) ALDH1A1
SCHEMBL5860328 0.80 CA12 (0.35) CA12CA1CA2CA9MAOA
SCHEMBL5859113 0.76 PTGS2 (0.30)
SCHEMBL5859371 0.75 MAOA (0.36) CA12CA1CA2CA9MAOA
SCHEMBL5859101 0.74 BRD9 (0.31)
SCHEMBL5836223 0.74 MAPT (0.39) AKR1C3AKR1C2NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL27546003 0.74 MAPT (0.34) CA12CA1CA2CA9AKR1C3
Hydrochloric Acid SCHEMBL4467654 0.72 MAPT (0.35) CA12CA1CA2CA9AKR1C3

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 CA12 2763/4885CA1 3002/4885CA2 4240/4885

“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.