SCHEMBL5860378

SCHEMBL5860378

[Li]C1C=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
BCL2L1 Q07817 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAPK1 P28482 1/20 0.33
BRD4 O60885 1/20 0.31
MGLL Q99685 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
HNF4A P41235 1/20 0.31
DPP4 P27487 1/20 0.31
BACE1 P56817 1/20 0.30
USP30 Q70CQ3 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
SCHEMBL28421372 0.93 CHRNB2 (0.34) CHRNB2CHRNA4ALDH1A1HSD17B10HPGD
Hydrochloric Acid SCHEMBL28774109 0.91 CHRNB2 (0.33) CHRNB2CHRNA4ALDH1A1HSD17B10HPGD
Iodide SCHEMBL28428402 0.91 CHRNB2 (0.33) CHRNB2CHRNA4ALDH1A1HSD17B10HPGD
SCHEMBL5859090 0.80 BRD4 (0.33) BRD4
Fluoride SCHEMBL5183962 0.78 CHRNB2 (0.36) CHRNB2CHRNA4ALDH1A1HSD17B10HPGD
SCHEMBL27448311 0.78 CHRNB2 (0.36) CHRNB2CHRNA4ALDH1A1HSD17B10HPGD
SCHEMBL6930673 0.78 CHRNB2 (0.36) CHRNB2CHRNA4ALDH1A1HSD17B10HPGD
Hydrochloric Acid SCHEMBL5184845 0.78 CHRNB2 (0.36) CHRNB2CHRNA4ALDH1A1HSD17B10HPGD
SCHEMBL4059907 0.78 MGLL (0.38) CHRNB2CHRNA4ALDH1A1HSD17B10HPGD
SCHEMBL28325453 0.78 CHRNB2 (0.36) CHRNB2CHRNA4ALDH1A1HSD17B10HPGD

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 CHRNB2 4385/4885CHRNA4 2837/4885ALDH1A1 1847/4885

“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.