SCHEMBL2050474

SCHEMBL2050474

CCCCCCCCCCCCc1ccc2cc(O)ccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.67
CYP3A4 P08684 3/20 0.67
ESR1 P03372 2/20 0.67
ADRA2A P08913 2/20 0.67
ADORA3 P0DMS8 2/20 0.67
TACR2 P21452 2/20 0.67
SLC6A2 P23975 2/20 0.67
SLC6A4 P31645 2/20 0.67
SLC6A3 Q01959 2/20 0.67
TP53 P04637 2/20 0.67
KDM4E B2RXH2 1/20 0.67
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67
SHBG P04278 1/20 0.67
HSPD1 P10809 1/20 0.67
ADRB3 P13945 1/20 0.67
HTR2C P28335 1/20 0.67
HSPE1 P61604 1/20 0.67
HIF1A Q16665 1/20 0.67
TST Q16762 1/20 0.67

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
SCHEMBL9700041 1.00 PTGS2 (0.67) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL9698501 1.00 PTGS2 (0.67) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL2047392 1.00 PTGS2 (0.67) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL2049841 1.00 PTGS2 (0.67) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL2046991 1.00 PTGS2 (0.67) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL4065606 0.98 PTGS2 (0.63) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL20335366 0.95 PTGS2 (0.65) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL29946510 0.93 PTGS2 (0.55) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL2048075 0.93 PTGS2 (0.55) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL11222681 0.89 PTGS2 (0.57) PTGS2CYP3A4ESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344080-B2 Catalyst for olefin polymerization and method of preparation thereof WANG LICAI (CN) 2013-01-01 US disclosed
US-20110301385-A1 CATALYST FOR OLEFIN POLYMERIZATION AND METHOD OF PREPARATION THEREOF WANG LICAI (CN) 2011-12-08 US disclosed
US-7964678-B2 Comprises titanium/magnesium-1,4-diether [2,2'-dialkoxy-1,1'-biphenyl, 2,2'-dialkoxy-1,1'-binaphthalene, 10,10'-dialkoxy-9,9-biphenanthrene complex, organoaluminum compound, and organosilicon compound; molecular weight control WANG LICAI 2011-06-21 US disclosed
US-20080161513-A1 Catalyst for Olefin Polymerization and Preparation Thereof and Polymerization Process YINGKOU XIANGYANG CATALYST CO., LTD. (CN) 2008-07-03 US 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-20110301385-A1 CATALYST FOR OLEFIN POLYMERIZATION AND METHOD OF PREPARATION THEREOF PPOX, CAT, POR PTGS2 400/4885CYP3A4 106/4885ESR1 2315/4885

“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.