SCHEMBL2046089

SCHEMBL2046089

Cc1ccc2cc(O)ccc2c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.52
ESR2 Q92731 4/20 0.52
CYP1A2 P05177 3/20 0.50
TSHR P16473 2/20 0.50
CYP2A6 P11509 1/20 0.50
TLR8 Q9NR97 1/20 0.45
ACHE P22303 1/20 0.42
DYRK1A Q13627 1/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B3 P37058 3/20 0.40
GLA P06280 2/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL29771818 0.83 ESR1 (0.46) ESR1ESR2CYP1A2TSHRTLR8
SCHEMBL1206773 0.83 ESR1 (0.72) ESR1ESR2CYP1A2TLR8CYP3A4
SCHEMBL17445867 0.83 ESR1 (0.46) ESR1ESR2CYP1A2TSHRTLR8
SCHEMBL30219728 0.79 ESR1 (0.49) ESR1ESR2CYP1A2TLR8LMNA
SCHEMBL13296157 0.79 ESR1 (0.49) ESR1ESR2CYP1A2TSHRTLR8
SCHEMBL24717188 0.79 ESR1 (0.43) ESR1ESR2CYP1A2TSHRTLR8
SCHEMBL19680603 0.79 LMNA (0.66) ESR1ESR2CYP1A2TSHRTLR8
SCHEMBL1533447 0.78 CYP1A2 (0.57) ESR1ESR2CYP1A2TSHRLMNA
SCHEMBL599166 0.77 ALDH1A1 (0.63) ESR1ESR2CYP1A2TSHRCYP2A6
SCHEMBL8078744 0.76 ESR1 (0.49) ESR1ESR2MEN1POLBKMT2A

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 5 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
US-7192779-B1 Diagnosis of Smith-Lemli-Optiz syndrome CHILDREN'S HOSPITAL & RESEARCH CENTER AT OAKLAND (US) 2007-03-20 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 ESR1 2315/4885ESR2 3033/4885CYP1A2 149/4885

“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.