SCHEMBL5859155

SCHEMBL5859155

[Li]C1C=Cc2c1ccc1ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
HSD17B10 Q99714 5/20 0.41
CYP2A6 P11509 5/20 0.41
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPRT1 P00492 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 5/20 0.35
HPGD P15428 3/20 0.35
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 1/20 0.35
THRB P10828 1/20 0.35
KDM1A O60341 1/20 0.35
CYP3A4 P08684 1/20 0.34
KEAP1 Q14145 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.32

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
SCHEMBL5859267 0.82 KDM4E (0.36) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL5862935 0.77 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL9245394 0.77 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL5702772 0.77 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL8853192 0.77 ALDH1A1 (0.37) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Hydrochloric Acid SCHEMBL4084423 0.76 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Hydrochloric Acid SCHEMBL4083401 0.76 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Hydrochloric Acid SCHEMBL4067077 0.76 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL9789622 0.74 ALDH1A1 (0.38) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Hydrochloric Acid SCHEMBL6230006 0.74 ALDH1A1 (0.38) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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 ALDH1A1 1847/4885HSD17B10 2753/4885CYP2A6 571/4885

“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.