SCHEMBL813614

SCHEMBL813614

C1=CC([Zr]C2C=Cc3ccccc32)c2ccccc21.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.39
HTR6 P50406 1/20 0.39
HTR2A P28223 2/20 0.36
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
CYP2A6 P11509 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
KCNH2 Q12809 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33

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
SCHEMBL60674 0.87 HTR2A (0.40) SIGMAR1HTR6HTR2AHSD17B10SMN1; SMN2
SCHEMBL29474414 0.87 HTR2A (0.40) SIGMAR1HTR6HTR2AHSD17B10SMN1; SMN2
Methane SCHEMBL5838564 0.85 HTR2A (0.39) SIGMAR1HTR6HTR2AHSD17B10SMN1; SMN2
SCHEMBL27597712 0.85 HTR2A (0.39) SIGMAR1HTR6HTR2AHSD17B10SMN1; SMN2
SCHEMBL28278996 0.85 HTR2A (0.39) SIGMAR1HTR6HTR2AHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL5838117 0.85 HTR2A (0.39) SIGMAR1HTR6HTR2AHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL7941881 0.83 HTR2A (0.38) SIGMAR1HTR6HTR2AHSD17B10SMN1; SMN2
Ethylene SCHEMBL782495 0.83 HTR2A (0.38) SIGMAR1HTR6HTR2AHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL820050 0.83 HTR2A (0.38) SIGMAR1HTR6HTR2AHSD17B10SMN1; SMN2
1,2-Dichloroethane SCHEMBL9791637 0.81 HTR6 (0.41) SIGMAR1HTR6HTR2AHSD17B10SMN1; SMN2

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
US-8058200-B2 Catalysts for olefin polymerization CHEVRON PHILLIPS CHEMICAL COMPANY, L.P. (US) 2011-11-15 US claimed
US-20080287721-A1 CATALYSTS FOR OLEFIN POLYMERIZATION CHEVRON PHILLIPS CHEMICAL COMPANY (US) 2008-11-20 US claimed
US-8058200-B2 Catalysts for olefin polymerization CHEVRON PHILLIPS CHEMICAL COMPANY, L.P. (US) 2011-11-15 US disclosed
US-20080287721-A1 CATALYSTS FOR OLEFIN POLYMERIZATION CHEVRON PHILLIPS CHEMICAL COMPANY (US) 2008-11-20 US disclosed
EP-0792297-B1 SUPPORTED CATALYST COMPONENT, SUPPORTED CATALYST, THEIR PREPARATION, AND ADDITION POLYMERIZATION PROCESS DOW CHEMICAL CO (US) 2002-12-18 EP disclosed
US-6043180-A HEATING SAID SUPPORT MATERIAL AND ALUMOXANE FOR A PERIOD SUFFICIENT TO FIX SAID ALUMOXANE TO THE SUPPORT MATERIAL, TO PROVIDE A SUPPORTED CATALYST COMPONENT; TRANSITION METAL COMPOUND. THE DOW CHEMICAL COMPANY (US) 2000-03-28 US disclosed
EP-0792297-A1 SUPPORTED CATALYST COMPONENT, SUPPORTED CATALYST, THEIR PREPARATION, AND ADDITION POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 1997-09-03 EP disclosed
WO-1996016092-A1 SUPPORTED CATALYST COMPONENT, SUPPORTED CATALYST, THEIR PREPARATION, AND ADDITION POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 1996-05-30 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-20080287721-A1 CATALYSTS FOR OLEFIN POLYMERIZATION POF1B, DBF4, BRPF1 SIGMAR1 1630/4885HTR6 3416/4885HTR2A 4046/4885

“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.