SCHEMBL3418407

SCHEMBL3418407

CC(C)(C)c1cc(Br)c(O)c(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
HIF1A Q16665 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 3/20 0.46
ALOX15 P16050 2/20 0.46
ALOX12 P18054 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP3A4 P08684 2/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2C9 P11712 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
AKR1C1 Q04828 2/20 0.42

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
SCHEMBL31287232 0.90 ALDH1A1 (0.60) CRHBPCRHR2HIF1AALDH1A1TSHR
SCHEMBL297617 0.90 ALDH1A1 (0.60) CRHBPCRHR2HIF1AALDH1A1TSHR
SCHEMBL200188 0.87 BACE1 (0.49) ALDH1A1TSHRHSD17B10CYP3A4HPGD
SCHEMBL8900064 0.85 BACE1 (0.47) ALDH1A1TSHRHSD17B10CYP3A4HPGD
SCHEMBL17500060 0.82 ESR2 (0.47) TSHRCYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL6320034 0.81 CYP1A2 (0.53) TSHRCYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL14702266 0.79 CYP2C19 (0.40) HIF1ATSHRCYP3A4CYP2C9CYP1A2
SCHEMBL14820672 0.78 CYP1A2 (0.50) TSHRCYP3A4CYP2C9CYP1A2CYP2C19
Potassium Ion SCHEMBL3416456 0.78 ALDH1A1 (0.38) CRHBPCRHR2HIF1AALDH1A1CYP2C9
SCHEMBL5034217 0.78 CYP2C19 (0.42) TSHRCYP3A4CYP2C9CYP1A2CYP2C19

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101896507-B Catalyst compounds and their use EXXONMOBIL CHEM PATENTS INC 2012-11-28 CN disclosed
EP-1501840-B1 BRIDGED BI-AROMATIC LIGANDS, COMPLEXES, CATALYSTS, PROCESSES FOR POLYMERIZING AND POLYMERS THEREFROM SYMYX SOLUTIONS INC (US) 2010-12-22 EP disclosed
CN-101896507-A Catalyst compounds and their use EXXONMOBIL CHEM PATENTS INC 2010-11-24 CN disclosed
EP-2231715-A1 CATALYST COMPOUNDS AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2010-09-29 EP disclosed
US-7767773-B2 Catalyst compounds are use thereof EXXONMOBILE CHEMICAL PATENTS INC. (US) 2010-08-03 US disclosed
US-7767773-B2 Catalyst compounds are use thereof EXXONMOBILE CHEMICAL PATENTS INC. (US) 2010-08-03 US disclosed
US-7767773-B2 Catalyst compounds are use thereof EXXONMOBILE CHEMICAL PATENTS INC. (US) 2010-08-03 US disclosed
US-7705157-B2 Phenol-heterocyclic ligands, metal complexes, and their uses as catalysts SYMYX SOLUTIONS, INC. (US) 2010-04-27 US disclosed
US-7705157-B2 Phenol-heterocyclic ligands, metal complexes, and their uses as catalysts SYMYX SOLUTIONS, INC. (US) 2010-04-27 US disclosed
US-20100048841-A1 PHENOL-HETEROCYCLIC LIGANDS, METAL COMPLEXES, AND THEIR USES AS CATALYSTS SYMYX SOLUTIONS, INC. (US) 2010-02-25 US disclosed
EP-2112173-A1 Catalyst compounds and use thereof ExxonMobil Chemical Patents Inc. (US) 2009-10-28 EP disclosed
WO-2009082556-A1 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-07-02 WO disclosed
WO-2009082556-A1 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-07-02 WO disclosed
US-20080269470-A1 Bridged Bi-Aromatic Ligands, Catalysts, Processes For Polymerizing And Polymers Therefrom SYMYX TECHNOLOGIES, INC. (US) 2008-10-30 US disclosed
US-20080269470-A1 Bridged Bi-Aromatic Ligands, Catalysts, Processes For Polymerizing And Polymers Therefrom SYMYX TECHNOLOGIES, INC. (US) 2008-10-30 US disclosed
US-20080182952-A1 Catalyst Compounds And Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2008-07-31 US disclosed
US-20080182952-A1 Catalyst Compounds And Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2008-07-31 US disclosed
US-20080182952-A1 Catalyst Compounds And Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2008-07-31 US disclosed
US-7241715-B2 Bridged bi-aromatic ligands, catalysts, processes for polymerizing and polymers therefrom SYMYX TECHNOLOGIES, INC. (US) 2007-07-10 US disclosed
US-7241715-B2 Bridged bi-aromatic ligands, catalysts, processes for polymerizing and polymers therefrom SYMYX TECHNOLOGIES, INC. (US) 2007-07-10 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 (2 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-20080182952-A1 Catalyst Compounds And Use Thereof HACL2, AHCYL1, CRKL CRHBP 3224/4885CRHR2 2147/4885HIF1A 1565/4885
US-20080269470-A1 Bridged Bi-Aromatic Ligands, Catalysts, Processes For Polymerizing And Polymers Therefrom WEE1, WASF2, WEE2 CRHBP 981/4885CRHR2 1337/4885HIF1A 3705/4885

“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.