SCHEMBL2044544

SCHEMBL2044544

CCc1ccc2cc(O)ccc2c1CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 2/20 0.44
ESR1 P03372 5/20 0.43
ESR2 Q92731 5/20 0.43
ESRRB O95718 1/20 0.41
ESRRA P11474 1/20 0.41
TYR P14679 3/20 0.38
CYP1A2 P05177 1/20 0.38
KCNJ11 Q14654 1/20 0.37
IDH1 O75874 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HNF4A P41235 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL15789381 0.85 ESR1 (0.45) ESR1ESR2CYP1A2MEN1KMT2A
SCHEMBL24755265 0.80 ESR1 (0.46) ESR1ESR2CYP1A2KCNJ11
SCHEMBL29678582 0.80 ESR1 (0.46) ESR1ESR2CYP1A2KCNJ11
SCHEMBL29679858 0.80 ESR1 (0.46) ESR1ESR2CYP1A2KCNJ11
SCHEMBL2128646 0.80 CA12 (0.46) POLBALOX5TSHR
Hydrochloric Acid SCHEMBL29975430 0.79 ESR1 (0.44) ESR1ESR2CYP1A2KCNJ11
Hydrochloric Acid SCHEMBL30487944 0.79 ESR1 (0.44) ESR1ESR2CYP1A2KCNJ11
SCHEMBL2050978 0.79 TYR (0.47) HSD17B3ESR1ESR2TYRMEN1
SCHEMBL22539300 0.78
SCHEMBL2455631 0.77 ESR1 (0.44) HSD17B3ESR1ESR2ESRRBESRRA

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 HSD17B3 1318/4885ESR1 2315/4885ESR2 3033/4885

“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.