SCHEMBL5082826

SCHEMBL5082826

CC(C)CCC(CO)(CO)C(C)C.O=C(O)c1cccc(Cl)c1.O=C(O)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.47
SLC6A2 P23975 5/20 0.42
SLC6A3 Q01959 4/20 0.42
SLC6A4 P31645 2/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
ITGA5 P08648 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CYP2C19 P33261 1/20 0.42
HRH1 P35367 1/20 0.42
CHRNA7 P36544 1/20 0.42
OPRK1 P41145 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRND Q07001 1/20 0.42
KCNH2 Q12809 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41

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
Benzoic Acid SCHEMBL4577223 0.85 MAPK1 (0.46) SMN1; SMN2NPC1RAB9ANR1H4KDM4E
Benzoic Acid SCHEMBL561535 0.85 MAPK1 (0.46) SMN1; SMN2NPC1RAB9ANR1H4KDM4E
4-Chloro-Benzoic Acid SCHEMBL4578017 0.84 ALOX15 (0.49) KCNH2SMN1; SMN2ALDH1A1NPC1RAB9A
Benzoic Acid SCHEMBL29415301 0.80 MAPK1 (0.40) SMN1; SMN2NPC1RAB9ANR1H4KDM4E
Benzoic Acid SCHEMBL27644506 0.79 MAPK1 (0.41) SMN1; SMN2NPC1RAB9ANR1H4KDM4E
Benzoyl Formic Acid SCHEMBL16045154 0.79 MAPK1 (0.41) SMN1; SMN2ALDH1A1NPC1RAB9ANR1H4
Benzoic Acid SCHEMBL29006857 0.79 MAPK1 (0.41) SMN1; SMN2NPC1RAB9ANR1H4KDM4E
Benzoic Acid SCHEMBL16046325 0.79 TAS2R14 (0.40) CYP2C19SMN1; SMN2ALDH1A1RAB9AHSD17B10
SCHEMBL1785535 0.79 CHRM2 (0.45) CYP2B6SLC6A2SLC6A3SLC6A4CHRNA1
Benzoic Acid SCHEMBL29006820 0.77 MAPK1 (0.40) CYP2C19HRH1KCNH2SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666505-B1 CATALYST COMPONENTS CATALYSTS FOR OLEFINIC POLYMERIZATION AND THE USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2016-03-23 EP disclosed
US-7332455-B2 Catalyst component and catalyst for olefin polymerization as well as use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-02-19 US disclosed
EP-1666505-A1 CATALYST COMPONENTS CATALYSTS FOR OLEFINIC POLYMERIZATION AND THE USE THEREOF China Petroleum & Chemical Corporation (CN) 2006-06-07 EP disclosed
EP-1478617-A4 POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2006-04-19 EP disclosed
US-20050119427-A1 Catalyst component and catalyst for olefin polymerization as well as use thereof BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-06-02 US disclosed
US-20050096389-A1 Polyol ester compounds useful in preparation of a catalyst for olefins polymerization, process for preparing the same and use thereof CHINA PETROLEUM & CHEMICAL (CN) 2005-05-05 US disclosed
EP-1478617-A1 POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF China Petroleum & Chemical Corporation (CN) 2004-11-24 EP disclosed
WO-2003068723-A1 POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2003-08-21 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-20050096389-A1 Polyol ester compounds useful in preparation of a catalyst for olefins polymerization, process for preparing the same and use thereof CBR3, CBR1, OXER1 CYP2B6 288/4885SLC6A2 4360/4885SLC6A3 3962/4885

“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.