SCHEMBL5859348

SCHEMBL5859348

[Li]C1C(C(C)C)=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
BRD4 O60885 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 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
SCHEMBL1801597 0.84 BRD4 (0.33) BRD4
SCHEMBL5837020 0.83 ADRA2A (0.32) CHRNB2CHRNA4MEN1POLBKMT2A
SCHEMBL5859101 0.83 BRD9 (0.31) BRD4
SCHEMBL7853080 0.83 CHRNB2 (0.32) CHRNB2CHRNA4MEN1POLBKMT2A
SCHEMBL27642869 0.83 CHRNB2 (0.32) CHRNB2CHRNA4MEN1POLBKMT2A
SCHEMBL7034781 0.81 PDCD1 (0.33) CHRNB2CHRNA4MEN1POLBKMT2A
SCHEMBL28024299 0.81 CHRNB2 (0.31) CHRNB2CHRNA4MEN1POLBKMT2A
Hydrochloric Acid SCHEMBL5086289 0.81 CHRNB2 (0.31) CHRNB2CHRNA4MEN1POLBKMT2A
Hydrochloric Acid SCHEMBL28755372 0.81 CHRNB2 (0.31) CHRNB2CHRNA4MEN1POLBKMT2A
SCHEMBL3688821 0.81 ADRA2A (0.31)

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-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 CHRNB2 4385/4885CHRNA4 2837/4885MEN1 1165/4885

“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.